data_[La16Sb4Te4Se8]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.8931]
_cell_length_b [8.9679]
_cell_length_c [12.6076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [La4SbTeSe2]
_chemical_formula_sum '[La16 Sb4 Te4 Se8]'
_cell_volume [1005.4780]
_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  0.0000  0.0160  0.2547  1.0
  La  La1  8  0.2407  0.2500  0.4924  1.0
  Sb  Sb2  4  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.2500  0.2500  0.7500  1.0
  Se  Se4  4  0.0000  0.0000  0.5000  1.0
  Se  Se5  4  0.2500  0.2500  0.2500  1.0
]