data_[La12In4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.5849]
_cell_length_b [15.5919]
_cell_length_c [7.6258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3InTe6]
_chemical_formula_sum '[La12 In4 Te24]'
_cell_volume [1496.3528]
_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  8  0.1826  0.0965  0.5159  1.0
  La  La1  4  0.0000  0.4041  0.6192  1.0
  In  In2  4  0.0000  0.2034  0.9797  1.0
  Te  Te3  8  0.1626  0.4650  0.3195  1.0
  Te  Te4  8  0.1750  0.2684  0.7865  1.0
  Te  Te5  4  0.0000  0.0345  0.8242  1.0
  Te  Te6  4  0.0000  0.2225  0.3477  1.0
]