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 [I4/m]
_cell_length_a [12.7457]
_cell_length_b [12.7457]
_cell_length_c [3.1143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [YTa]
_chemical_formula_sum '[Y8 Ta8]'
_cell_volume [505.9228]
_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  8  0.0555  0.6685  0.5000  1
  Ta  Ta1  8  0.1655  0.2303  0.5000  1
]