data_[La12Sb4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6027]
_cell_length_b [14.5208]
_cell_length_c [7.3564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3SbSe6]
_chemical_formula_sum '[La12 Sb4 Se24]'
_cell_volume [1239.4129]
_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  0.1846  0.1003  0.9819  1.0
  La  La1  4  0.0000  0.4010  0.8902  1.0
  Sb  Sb2  4  0.0000  0.1747  0.5053  1.0
  Se  Se3  8  0.1635  0.4728  0.1853  1.0
  Se  Se4  8  0.1654  0.2602  0.6898  1.0
  Se  Se5  4  0.0000  0.0102  0.7408  1.0
  Se  Se6  4  0.0000  0.2309  0.1350  1.0
]