data_[Ta10Fe2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2576]
_cell_length_b [3.2583]
_cell_length_c [6.4354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta5Fe]
_chemical_formula_sum '[Ta10 Fe2]'
_cell_volume [203.6846]
_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  4  0.1598  0.0000  0.3389  1.0
  Ta  Ta1  4  0.1629  0.0000  0.8226  1.0
  Ta  Ta2  2  0.0000  0.5000  0.0000  1.0
  Fe  Fe3  2  0.0000  0.5000  0.5000  1.0
]