data_NbCu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.0
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   98.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Pt
_chemical_formula_sum   'Nb1 Cu2 Pt1'
_cell_volume   58.2
_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
  Nb  Nb2  1  0.23  0.0  0.63  1.0
  Cu  Cu0  1  0.23  0.0  0.05  1.0
  Cu  Cu1  1  0.99  0.0  0.25  1.0
  Pt  Pt3  1  0.85  0.0  1.0  1.0

data_NbCu2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.75
_cell_length_b   4.0
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   98.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbCu2Pt
_chemical_formula_sum   'Nb1 Cu2 Pt1'
_cell_volume   58.2
_cell_formula_units_Z   1
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
  Nb  Nb0  1  0.23  0.0  0.63  1.0
  Cu  Cu1  1  0.23  0.0  0.05  1.0
  Cu  Cu2  1  0.99  0.0  0.25  1.0
  Pt  Pt3  1  0.85  0.0  1.0  1.0

Nb Cu Cu Pt