data_CaSnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   4.67
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSnPt
_chemical_formula_sum   'Ca4 Sn4 Pt4'
_cell_volume   276.29
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.32  0.17  0.51  1.0
  Ca  Ca1  1  0.61  0.17  0.45  1.0
  Ca  Ca2  1  0.11  0.5  0.46  1.0
  Ca  Ca3  1  0.82  0.5  0.52  1.0
  Sn  Sn4  1  0.42  0.17  0.35  1.0
  Sn  Sn5  1  0.13  0.17  0.63  1.0
  Sn  Sn6  1  0.0  0.5  0.62  1.0
  Sn  Sn7  1  0.29  0.5  0.34  1.0
  Pt  Pt8  1  0.53  0.17  0.78  1.0
  Pt  Pt9  1  0.24  0.17  0.21  1.0
  Pt  Pt10  1  0.89  0.5  0.2  1.0
  Pt  Pt11  1  0.18  0.5  0.76  1.0

data_CaSnPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.67
_cell_length_b   7.42
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CaSnPt
_chemical_formula_sum   'Ca4 Sn4 Pt4'
_cell_volume   276.29
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ca  Ca0  2  0.33  0.61  0.52  1.0
  Ca  Ca1  2  0.33  0.89  0.46  1.0
  Sn  Sn2  2  0.33  0.42  0.65  1.0
  Sn  Sn3  2  0.33  0.71  0.37  1.0
  Pt  Pt4  2  0.33  0.53  0.22  1.0
  Pt  Pt5  2  0.33  0.82  0.79  1.0

Ca Ca Ca Ca Sn Sn Sn Sn Pt Pt Pt Pt