data_[Ba4Y2Ta2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.9299]
_cell_length_b [12.1466]
_cell_length_c [3.4614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2YTa]
_chemical_formula_sum '[Ba4 Y2 Ta2]'
_cell_volume [280.1025]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  4  0.2500  0.2500  0.0000  1
  Y  Y1  2  0.0000  0.5000  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.5000  1
]