data_[Nb3Co8Pt1]
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 [P3m1]
_cell_length_a [4.7387]
_cell_length_b [4.7387]
_cell_length_c [7.7650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nb3Co8Pt]
_chemical_formula_sum '[Nb3 Co8 Pt1]'
_cell_volume [151.0068]
_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  0.0888  1.0
  Nb  Nb1  1  0.6667  0.3333  0.5507  1.0
  Nb  Nb2  1  0.6667  0.3333  0.9272  1.0
  Co  Co3  3  0.1644  0.3289  0.7511  1.0
  Co  Co4  3  0.5009  0.0019  0.2462  1.0
  Co  Co5  1  0.3333  0.6667  0.5001  1.0
  Co  Co6  1  0.3333  0.6667  0.9960  1.0
  Pt  Pt7  1  0.0000  0.0000  0.4454  1.0
]