data_[Nb4Co1Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8229]
_cell_length_b [4.6193]
_cell_length_c [9.9607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nb4CoPt3]
_chemical_formula_sum '[Nb4 Co1 Pt3]'
_cell_volume [129.8863]
_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  1  0.0000  0.0000  0.0975  1.0
  Nb  Nb1  1  0.0000  0.0000  0.5885  1.0
  Nb  Nb2  1  0.0000  0.5000  0.4001  1.0
  Nb  Nb3  1  0.0000  0.5000  0.9186  1.0
  Co  Co4  1  0.5000  0.5000  0.1592  1.0
  Pt  Pt5  1  0.5000  0.0000  0.3349  1.0
  Pt  Pt6  1  0.5000  0.0000  0.8387  1.0
  Pt  Pt7  1  0.5000  0.5000  0.6625  1.0
]