data_image0
_chemical_formula_structural       ZrBr2
_chemical_formula_sum              "Zr1 Br2"
_cell_length_a       3.4560877295155543
_cell_length_b       3.4560874580738856
_cell_length_c       19.171930009000633
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  1.1890409567711286e-18  2.591214293259786e-38  0.49999984902405153  1.0000
  Br  Br1       1.0  8.11847745240215e-19  0.5000000002786553  0.6076512466157947  1.0000
  Br  Br2       1.0  0.49999999862336336  1.0896236464225646e-20  0.3923484561266714  1.0000