data_[La12Sb2Se10]
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 [C2/m]
_cell_length_a [7.5639]
_cell_length_b [13.1040]
_cell_length_c [7.5755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6SbSe5]
_chemical_formula_sum '[La12 Sb2 Se10]'
_cell_volume [707.8913]
_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
[
  La  La0  8  0.2438  0.3295  0.7430  1
  La  La1  4  0.2433  0.5000  0.2543  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1627  0.5000  1
  Se  Se4  4  0.0000  0.3326  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]