data_[Li2Ta2As4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.3247]
_cell_length_b [6.4719]
_cell_length_c [6.0617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiTa(AsO3)2]
_chemical_formula_sum '[Li2 Ta2 As4 O12]'
_cell_volume [290.2488]
_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
[
  Li  Li0  2  0.0000  0.4428  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0301  0.5000  1.0
  As  As2  4  0.2483  0.3755  0.6911  1.0
  O  O3  4  0.0622  0.8381  0.3292  1.0
  O  O4  4  0.0648  0.2905  0.3444  1.0
  O  O5  4  0.2473  0.6080  0.1909  1.0
]