data_[Y8Ta8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3953]
_cell_length_b [5.0849]
_cell_length_c [10.3675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YTa]
_chemical_formula_sum '[Y8 Ta8]'
_cell_volume [389.8624]
_cell_formula_units_Z [8]
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
[
  Y  Y0  4  0.0973  0.7500  0.2443  1
  Y  Y1  4  0.1583  0.2500  0.4871  1
  Ta  Ta2  4  0.0803  0.2500  0.0416  1
  Ta  Ta3  4  0.1501  0.7500  0.7165  1
]