data_[Li8Ta4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0351]
_cell_length_b [19.3064]
_cell_length_c [4.0713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2TaFe]
_chemical_formula_sum '[Li8 Ta4 Fe4]'
_cell_volume [238.5622]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0000  0.0613  0.2500  1
  Li  Li1  4  0.0000  0.4291  0.2500  1
  Ta  Ta2  4  0.0000  0.2021  0.7500  1
  Fe  Fe3  4  0.0000  0.3257  0.7500  1
]