data_SbPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   3.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPt2Se
_chemical_formula_sum   'Sb1 Pt2 Se1'
_cell_volume   74.1
_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
  Sb  Sb2  1  0.11  0.0  0.0  1.0
  Pt  Pt0  1  0.56  0.33  0.78  1.0
  Pt  Pt1  1  0.56  0.67  0.78  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_SbPt2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   94.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPt2Se
_chemical_formula_sum   'Sb1 Pt2 Se1'
_cell_volume   74.1
_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
  Sb  Sb0  1  0.0  0.11  0.0  1.0
  Pt  Pt1  1  0.78  0.56  0.33  1.0
  Pt  Pt2  1  0.78  0.56  0.67  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sb Pt Pt Se
Sb Pt Pt Se 0 3 o o o 1 2 o o o 