data_[Li6Ca4Ta2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5970]
_cell_length_b [10.0935]
_cell_length_c [5.2532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ca2TaO6]
_chemical_formula_sum '[Li6 Ca4 Ta2 O12]'
_cell_volume [281.9772]
_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  4  0.0000  0.1290  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca2  4  0.0000  0.3301  0.0000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2123  0.8574  0.2338  1.0
  O  O5  4  0.2297  0.0000  0.7680  1.0
]