data_Na2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.35
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   92.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2PtBr
_chemical_formula_sum   'Na2 Pt1 Br1'
_cell_volume   84.96
_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
  Na  Na1  1  0.59  0.67  0.83  1.0
  Na  Na2  1  0.41  0.67  0.88  1.0
  Pt  Pt3  1  0.86  0.0  0.86  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Na2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.35
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   92.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2PtBr
_chemical_formula_sum   'Na2 Pt1 Br1'
_cell_volume   84.96
_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
  Na  Na0  1  0.41  0.67  0.88  1.0
  Na  Na1  1  0.59  0.67  0.83  1.0
  Pt  Pt2  1  0.86  0.0  0.86  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Na Na Pt Br
Na Na Pt Br 0 1 o o o 0 2 o + o 2 3 + o + 