data_BaLiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.99
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   96.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiPt2
_chemical_formula_sum   'Ba1 Li1 Pt2'
_cell_volume   85.27
_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
  Ba  Ba0  1  0.59  0.0  0.45  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.21  0.99  0.3  1.0
  Pt  Pt3  1  0.06  0.99  0.6  1.0

data_BaLiPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.1
_cell_length_b   3.99
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   96.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaLiPt2
_chemical_formula_sum   'Ba1 Li1 Pt2'
_cell_volume   85.27
_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
  Ba  Ba0  1  0.59  0.0  0.45  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.06  0.0  0.6  1.0
  Pt  Pt3  1  0.21  0.0  0.3  1.0

Ba Li Pt Pt