data_Ca2NbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NbPt
_chemical_formula_sum   'Ca2 Nb1 Pt1'
_cell_volume   88.41
_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  0.51  0.62  0.53  1.0
  Ca  Ca1  1  0.51  0.38  0.53  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.03  0.0  0.0  1.0

data_Ca2NbPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   115.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NbPt
_chemical_formula_sum   'Ca2 Nb1 Pt1'
_cell_volume   88.41
_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  0.53  0.51  0.38  1.0
  Ca  Ca1  1  0.53  0.51  0.62  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.03  0.0  1.0

Ca Ca Nb Pt