data_image0
_chemical_formula_structural       Br2Zr2
_chemical_formula_sum              "Br2 Zr2"
_cell_length_a       4.304307566567577
_cell_length_b       4.305870908449652
_cell_length_c       18.85580293064
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.98799035820909

_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
  Br  Br1       1.0  0.999980332080947  0.00010008728424555952  0.3935166318450778  1.0000
  Br  Br2       1.0  0.3333529729742051  0.6665666165178421  0.6065456476221143  1.0000
  Zr  Zr1       1.0  1.9671987911644687e-05  5.5941302842851245e-05  0.5437006648675253  1.0000
  Zr  Zr2       1.0  0.33331363654765916  0.6666107276415092  0.4563745411242437  1.0000