data_SrMo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Pt
_chemical_formula_sum   'Sr1 Mo2 Pt1'
_cell_volume   76.96
_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
  Sr  Sr3  1  0.0  0.0  0.41  1.0
  Mo  Mo0  1  0.8  0.0  0.8  1.0
  Mo  Mo1  1  0.0  0.0  0.88  1.0
  Pt  Pt2  1  0.8  0.0  0.9  1.0

data_SrMo2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMo2Pt
_chemical_formula_sum   'Sr1 Mo2 Pt1'
_cell_volume   76.96
_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
  Sr  Sr0  1  0.0  0.0  0.41  1.0
  Mo  Mo1  1  0.0  0.0  0.88  1.0
  Mo  Mo2  1  0.8  0.0  0.8  1.0
  Pt  Pt3  1  0.8  0.0  0.9  1.0

Sr Mo Mo Pt
Sr Mo Mo Pt 0 0 o + o 0 0 + o o 1 2 + o o 1 3 o o o 2 3 - o o 