data_[Y8Ta4]
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 [C2/m]
_cell_length_a [12.1033]
_cell_length_b [3.6842]
_cell_length_c [7.8824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Ta]
_chemical_formula_sum '[Y8 Ta4]'
_cell_volume [331.3611]
_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
[
  Y  Y0  4  0.0179  0.5000  0.7160  1
  Y  Y1  4  0.1767  0.0000  0.1384  1
  Ta  Ta2  4  0.1778  0.0000  0.5350  1
]