data_BaInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   147.03
_cell_angle_beta   130.85
_cell_angle_gamma   60.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInPt2
_chemical_formula_sum   'Ba1 In1 Pt2'
_cell_volume   95.73
_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  0.75  0.0  0.31  1.0
  In  In1  1  0.0  0.0  0.43  1.0
  Pt  Pt2  1  0.75  0.0  0.03  1.0
  Pt  Pt3  1  0.0  0.0  0.22  1.0

data_BaInPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.13
_cell_length_c   6.17
_cell_angle_alpha   114.58
_cell_angle_beta   106.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInPt2
_chemical_formula_sum   'Ba1 In1 Pt2'
_cell_volume   95.73
_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  0.0  0.31  0.56  1.0
  In  In1  1  0.0  0.43  0.43  1.0
  Pt  Pt2  1  0.0  0.03  0.28  1.0
  Pt  Pt3  1  0.0  0.22  0.22  1.0

Ba In Pt Pt
Ba In Pt Pt 0 1 + o o 1 3 o o o 2 3 + o o 