data_[Ta4Fe2P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9560]
_cell_length_b [3.5507]
_cell_length_c [7.0609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta2FeP]
_chemical_formula_sum '[Ta4 Fe2 P2]'
_cell_volume [116.9489]
_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  0.2298  0.2500  0.4300  1.0
  Ta  Ta1  2  0.2845  0.7500  0.0753  1.0
  Fe  Fe2  2  0.3550  0.7500  0.7026  1.0
  P  P3  2  0.1408  0.2500  0.7895  1.0
]