data_[Y6Ta3]
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 [P-62m]
_cell_length_a [8.9687]
_cell_length_b [8.9687]
_cell_length_c [3.3455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Y2Ta]
_chemical_formula_sum '[Y6 Ta3]'
_cell_volume [233.0485]
_cell_formula_units_Z [3]
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  3  0.0000  0.3031  0.0000  1
  Y  Y1  3  0.0000  0.6375  0.5000  1
  Ta  Ta2  2  0.3333  0.6667  0.0000  1
  Ta  Ta3  1  0.0000  0.0000  0.5000  1
]