data_Zr2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   5.51
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2PtBr
_chemical_formula_sum   'Zr2 Pt1 Br1'
_cell_volume   83.41
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Zr2  1  0.21  0.0  0.51  1.0
  Zr  Zr3  1  0.07  0.76  0.87  1.0
  Pt  Pt1  1  0.68  0.76  0.62  1.0
  Br  Br0  1  0.37  0.0  0.78  1.0

data_Zr2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.52
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2PtBr
_chemical_formula_sum   'Zr2 Pt1 Br1'
_cell_volume   83.41
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Zr0  1  0.79  0.49  0.0  1.0
  Zr  Zr1  1  0.93  0.13  0.24  1.0
  Pt  Pt2  1  0.32  0.38  0.24  1.0
  Br  Br3  1  0.63  0.22  0.0  1.0

Zr Zr Pt Br