data_[Li4Ca4Ta6O20]
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 [I4/mmm]
_cell_length_a [3.9845]
_cell_length_b [3.9845]
_cell_length_c [26.5377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li2Ca2Ta3O10]
_chemical_formula_sum '[Li4 Ca4 Ta6 O20]'
_cell_volume [421.3203]
_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  0.5000  0.2500  1.0
  Ca  Ca1  4  0.0000  0.0000  0.4152  1.0
  Ta  Ta2  4  0.0000  0.0000  0.1545  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.0000  0.5000  0.1445  1.0
  O  O5  4  0.0000  0.0000  0.0748  1.0
  O  O6  4  0.0000  0.0000  0.2263  1.0
  O  O7  4  0.0000  0.5000  0.0000  1.0
]