data_Ca3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Pt2
_chemical_formula_sum   'Ca6 Pt4'
_cell_volume   245.09
_cell_formula_units_Z   2
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  0.15  0.04  0.0  1.0
  Ca  Ca1  1  0.04  0.77  0.55  1.0
  Ca  Ca2  1  0.0  0.46  0.0  1.0
  Ca  Ca3  1  0.88  0.15  0.55  1.0
  Ca  Ca4  1  0.77  0.88  0.0  1.0
  Ca  Ca5  1  0.46  0.0  0.55  1.0
  Pt  Pt6  1  0.02  0.52  0.55  1.0
  Pt  Pt7  1  0.52  0.91  0.0  1.0
  Pt  Pt8  1  0.41  0.02  0.0  1.0
  Pt  Pt9  1  0.91  0.41  0.55  1.0

data_Ca3Pt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   6.93
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Pt2
_chemical_formula_sum   'Ca6 Pt4'
_cell_volume   245.09
_cell_formula_units_Z   2
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  0.0  0.0  0.46  1.0
  Ca  Ca1  1  0.0  0.15  0.04  1.0
  Ca  Ca2  1  0.0  0.77  0.88  1.0
  Ca  Ca3  1  0.55  0.04  0.77  1.0
  Ca  Ca4  1  0.55  0.46  0.0  1.0
  Ca  Ca5  1  0.55  0.88  0.15  1.0
  Pt  Pt6  1  0.0  0.41  0.02  1.0
  Pt  Pt7  1  0.0  0.52  0.91  1.0
  Pt  Pt8  1  0.55  0.02  0.52  1.0
  Pt  Pt9  1  0.55  0.91  0.41  1.0

Ca Ca Ca Ca Ca Ca Pt Pt Pt Pt