data_image0
_chemical_formula_structural       ZrISPtSBr
_chemical_formula_sum              "Zr1 I1 S2 Pt1 Br1"
_cell_length_a       3.570624914949869
_cell_length_b       5.053353372151117
_cell_length_c       21.825985329344196
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    114.71333420175733

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Zr  Zr1       1.0  0.5938073341964816  0.850850647401841  0.5614008107815478  1.0000
  I   I1        1.0  0.5329110868454247  0.5349346544504102  0.3436430798803878  1.0000
  S   S1        1.0  0.8479330988372293  0.4400455547103335  0.561660876474544  1.0000
  Pt  Pt1       1.0  0.6835198812458088  0.49085015368583773  0.46074926553165424  1.0000
  S   S2        1.0  0.16645868197394745  0.9913908454118708  0.4800063567308734  1.0000
  Br  Br1       1.0  0.14033577128385377  0.9763509117371691  0.6563683702627343  1.0000