data_[La1Sb1Se3]
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 [P1]
_cell_length_a [4.2118]
_cell_length_b [7.4876]
_cell_length_c [18.4730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [105.5750]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaSbSe3]
_chemical_formula_sum '[La1 Sb1 Se3]'
_cell_volume [561.1744]
_cell_formula_units_Z [1]
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  1  0.0276  0.7564  0.5265  1
  Sb  Sb1  1  0.3377  0.3211  0.4663  1
  Se  Se2  1  0.4103  0.5048  0.5881  1
  Se  Se3  1  0.6663  0.0408  0.5190  1
  Se  Se4  1  0.9095  0.5229  0.4001  1
]