data_[Nb4Pt2C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5247]
_cell_length_b [2.9968]
_cell_length_c [7.1840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nb4Pt2C]
_chemical_formula_sum '[Nb4 Pt2 C1]'
_cell_volume [114.8942]
_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  Nb0  2  0.1342  0.0000  0.3353  1
  Nb  Nb1  2  0.2540  0.5000  0.9885  1
  Pt  Pt2  2  0.3756  0.5000  0.6514  1
  C  C3  1  0.0000  0.0000  0.0000  1
]