data_CaNbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   152.59
_cell_angle_beta   133.79
_cell_angle_gamma   54.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbPt2
_chemical_formula_sum   'Ca1 Nb1 Pt2'
_cell_volume   76.29
_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
  Ca  Ca0  1  0.0  0.0  0.35  1.0
  Nb  Nb1  1  0.0  0.41  0.11  1.0
  Pt  Pt2  1  0.0  0.0  0.9  1.0
  Pt  Pt3  1  0.45  0.0  0.45  1.0

data_CaNbPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.81
_cell_length_c   6.13
_cell_angle_alpha   113.11
_cell_angle_beta   103.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbPt2
_chemical_formula_sum   'Ca1 Nb1 Pt2'
_cell_volume   76.29
_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
  Ca  Ca0  1  0.65  0.65  0.65  1.0
  Nb  Nb1  1  0.89  0.3  0.3  1.0
  Pt  Pt2  1  0.1  0.1  0.1  1.0
  Pt  Pt3  1  1.0  0.55  1.0  1.0

Ca Nb Pt Pt