data_[La4Sb4Se4]
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 [Imm2]
_cell_length_a [4.2796]
_cell_length_b [18.5661]
_cell_length_c [4.3090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LaSbSe]
_chemical_formula_sum '[La4 Sb4 Se4]'
_cell_volume [342.3766]
_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  0.0000  0.3505  0.6670  1.0
  Sb  Sb1  2  0.0000  0.0000  0.1344  1.0
  Sb  Sb2  2  0.0000  0.5000  0.1776  1.0
  Se  Se3  4  0.0000  0.1851  0.6660  1.0
]