data_SrCaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   32.88
_cell_angle_beta   32.88
_cell_angle_gamma   32.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaPt2
_chemical_formula_sum   'Sr1 Ca1 Pt2'
_cell_volume   125.57
_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  0.91  1.0
  Ca  Ca0  1  0.0  0.0  0.7  1.0
  Pt  Pt1  1  0.0  0.0  0.32  1.0
  Pt  Pt2  1  0.0  0.0  0.53  1.0

data_SrCaPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.67
_cell_length_b   4.43
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   109.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCaPt2
_chemical_formula_sum   'Sr2 Ca2 Pt4'
_cell_volume   251.14
_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
  Sr  Sr0  2  0.0  0.0  0.09  1.0
  Ca  Ca1  2  0.0  0.0  0.3  1.0
  Pt  Pt2  2  0.0  0.0  0.47  1.0
  Pt  Pt3  2  0.0  0.0  0.68  1.0

Sr Ca Pt Pt
Sr Ca Pt Pt 0 1 o o o 1 3 o o o 2 3 o o o 