data_image0
_chemical_formula_structural       Zr2Br2
_chemical_formula_sum              "Zr2 Br2"
_cell_length_a       3.4533638096391566
_cell_length_b       3.4531469709656593
_cell_length_c       36.378462
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99792292648178

_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  0.9999150674139116  0.9999575325814506  0.5340156279833931  1.0000
  Zr  Zr2       1.0  0.33328493411209603  0.6666424676865229  0.46598437174171903  1.0000
  Br  Br1       1.0  0.9999242263205479  0.9999621133518375  0.4126700727479903  1.0000
  Br  Br2       1.0  0.3332757752054597  0.666637886916136  0.587329926152458  1.0000