data_NaBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBiPt2
_chemical_formula_sum   'Na1 Bi1 Pt2'
_cell_volume   82.97
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.55  1.0
  Pt  Pt2  1  0.4  0.0  0.88  1.0
  Pt  Pt3  1  0.4  0.0  0.22  1.0

data_NaBiPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaBiPt2
_chemical_formula_sum   'Na1 Bi1 Pt2'
_cell_volume   82.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.55  1.0
  Pt  Pt2  1  0.4  0.0  0.22  1.0
  Pt  Pt3  1  0.4  0.0  0.88  1.0

Na Bi Pt Pt