data_[Li4Ta4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.0553]
_cell_length_b [6.7456]
_cell_length_c [10.2353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTaTe3]
_chemical_formula_sum '[Li4 Ta4 Te12]'
_cell_volume [614.7483]
_cell_formula_units_Z [4]
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  0.4201  0.7092  0.5948  1
  Ta  Ta1  4  0.0897  0.7388  0.5976  1
  Te  Te2  4  0.0720  0.5730  0.8584  1
  Te  Te3  4  0.2088  0.1008  0.0618  1
  Te  Te4  4  0.3497  0.5980  0.3025  1
]