data_CaSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   4.64
_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   CaSbPt
_chemical_formula_sum   'Ca4 Sb4 Pt4'
_cell_volume   273.68
_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  0.34  0.48  0.41  1.0
  Ca  Ca1  1  0.06  0.16  0.56  1.0
  Ca  Ca2  1  0.64  0.48  0.58  1.0
  Ca  Ca3  1  0.76  0.16  0.39  1.0
  Sb  Sb4  1  0.32  0.48  0.71  1.0
  Sb  Sb5  1  0.38  0.16  0.72  1.0
  Sb  Sb6  1  0.08  0.16  0.26  1.0
  Sb  Sb7  1  0.02  0.48  0.25  1.0
  Pt  Pt8  1  0.94  0.16  0.68  1.0
  Pt  Pt9  1  0.24  0.16  0.31  1.0
  Pt  Pt10  1  0.16  0.48  0.66  1.0
  Pt  Pt11  1  0.46  0.48  0.29  1.0

data_CaSbPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.64
_cell_length_b   7.4
_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   CaSbPt
_chemical_formula_sum   'Ca4 Sb4 Pt4'
_cell_volume   273.68
_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  0.34  0.06  0.41  1.0
  Ca  Ca1  2  0.34  0.36  0.58  1.0
  Sb  Sb2  2  0.34  0.38  0.28  1.0
  Sb  Sb3  2  0.34  0.68  0.74  1.0
  Pt  Pt4  2  0.34  0.24  0.69  1.0
  Pt  Pt5  2  0.34  0.54  0.32  1.0

Ca Ca Ca Ca Sb Sb Sb Sb Pt Pt Pt Pt