data_[La4Ta4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2229]
_cell_length_b [4.0271]
_cell_length_c [9.0518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTaTe3]
_chemical_formula_sum '[La4 Ta4 Te12]'
_cell_volume [590.4843]
_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
[
  La  La0  4  0.1014  0.5000  0.8931  1.0
  Ta  Ta1  4  0.2113  0.0000  0.3886  1.0
  Te  Te2  4  0.0589  0.0000  0.1745  1.0
  Te  Te3  4  0.1200  0.5000  0.5264  1.0
  Te  Te4  4  0.2467  0.5000  0.1700  1.0
]