data_image0
_chemical_formula_structural       ZrBr2
_chemical_formula_sum              "Zr1 Br2"
_cell_length_a       3.5622893626210863
_cell_length_b       3.562289362621086
_cell_length_c       18.65238485302725
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.0  0.0  0.5000000001869132  1.0000
  Br  Br1       1.0  0.6666666661009938  0.3333333329377745  0.5979066450684984  1.0000
  Br  Br2       1.0  0.6666666661009938  0.3333333329377745  0.4020933547692033  1.0000