data_[Ba2Li2Ta2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5894]
_cell_length_b [3.9101]
_cell_length_c [12.5234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [BaLiTa]
_chemical_formula_sum '[Ba2 Li2 Ta2]'
_cell_volume [175.7623]
_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  1  0.5000  0.0000  0.7128  1
  Ba  Ba1  1  0.5000  0.5000  0.0186  1
  Li  Li2  1  0.0000  0.5000  0.4779  1
  Li  Li3  1  0.5000  0.0000  0.4397  1
  Ta  Ta4  1  0.0000  0.0000  0.2259  1
  Ta  Ta5  1  0.5000  0.5000  0.2893  1
]