data_Ba2SnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   46.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnPt
_chemical_formula_sum   'Ba2 Sn1 Pt1'
_cell_volume   142.89
_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  0.43  0.0  0.21  1.0
  Ba  Ba1  1  0.0  0.0  0.6  1.0
  Sn  Sn3  1  0.0  0.0  0.17  1.0
  Pt  Pt2  1  0.43  0.0  0.39  1.0

data_Ba2SnPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   5.03
_cell_length_c   6.37
_cell_angle_alpha   113.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnPt
_chemical_formula_sum   'Ba2 Sn1 Pt1'
_cell_volume   142.89
_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  0.6  0.6  1.0
  Ba  Ba1  1  0.57  0.21  0.21  1.0
  Sn  Sn2  1  0.0  0.17  0.17  1.0
  Pt  Pt3  1  0.57  0.39  0.39  1.0

Ba Ba Sn Pt
Ba Ba Sn Pt 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 