data_[Nb2Co2Pt12]
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 [C2/m]
_cell_length_a [8.9028]
_cell_length_b [3.9256]
_cell_length_c [7.8454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbCoPt6]
_chemical_formula_sum '[Nb2 Co2 Pt12]'
_cell_volume [246.0853]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  4  0.0004  0.5000  0.7515  1
  Pt  Pt3  4  0.2492  0.0000  0.3718  1
  Pt  Pt4  4  0.2494  0.5000  0.1219  1
]