data_[Ta2Fe6Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.8139]
_cell_length_b [3.9041]
_cell_length_c [22.1067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TaFe3Pt4]
_chemical_formula_sum '[Ta2 Fe6 Pt8]'
_cell_volume [242.8633]
_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
[
  Ta  Ta0  2  0.0000  0.5000  0.5000  1
  Fe  Fe1  4  0.0000  0.0000  0.1583  1
  Fe  Fe2  2  0.0000  0.5000  0.0000  1
  Pt  Pt3  4  0.0000  0.0000  0.2829  1
  Pt  Pt4  4  0.0000  0.0000  0.4040  1
]