data_SiMoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   127.44
_cell_angle_beta   127.44
_cell_angle_gamma   77.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoPt2
_chemical_formula_sum   'Si1 Mo1 Pt2'
_cell_volume   59.99
_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  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.04  0.0  0.8  1.0
  Pt  Pt1  1  0.0  0.0  0.6  1.0
  Pt  Pt2  1  0.0  0.04  0.8  1.0

data_SiMoPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   4.61
_cell_angle_alpha   116.28
_cell_angle_beta   116.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoPt2
_chemical_formula_sum   'Si1 Mo1 Pt2'
_cell_volume   59.99
_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  Si0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.8  0.76  0.76  1.0
  Pt  Pt2  1  0.6  0.6  0.6  1.0
  Pt  Pt3  1  0.76  0.8  0.76  1.0

Si Mo Pt Pt