data_image0
_chemical_formula_structural       Zr2Br2
_chemical_formula_sum              "Zr2 Br2"
_cell_length_a       3.5347950185512054
_cell_length_b       3.5347950185512045
_cell_length_c       36.080178599999996
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99999999999999

_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  9.024417500528778e-35  0.5324136524645696  1.0000
  Zr  Zr2       1.0  0.33333333406985466  0.66666666813971  0.4675863475354305  1.0000
  Br  Br1       1.0  0.6666666672398607  0.333333334069855  0.41519569030071274  1.0000
  Br  Br2       1.0  0.6666666672398607  0.333333334069855  0.5848043096992874  1.0000