data_SiBiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   150.24
_cell_angle_beta   150.24
_cell_angle_gamma   42.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBiPt
_chemical_formula_sum   'Si1 Bi1 Pt1'
_cell_volume   61.72
_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
  Si  Si2  1  0.0  0.0  0.31  1.0
  Bi  Bi0  1  0.0  0.0  0.74  1.0
  Pt  Pt1  1  0.0  0.0  0.47  1.0

data_SiBiPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   111.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiBiPt
_chemical_formula_sum   'Si2 Bi2 Pt2'
_cell_volume   123.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.31  0.0  0.31  1.0
  Bi  Bi1  2  0.24  0.5  0.74  1.0
  Pt  Pt2  2  0.47  0.0  0.47  1.0

Si Bi Pt
Si Bi Pt 0 2 o o o 1 2 o o o 