data_[La1Sb2Se1]
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 [Pm]
_cell_length_a [4.2828]
_cell_length_b [4.4631]
_cell_length_c [6.3823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaSb2Se]
_chemical_formula_sum '[La1 Sb2 Se1]'
_cell_volume [115.9106]
_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  0.0655  0.5000  0.6838  1
  Sb  Sb1  1  0.1654  0.0000  0.1032  1
  Sb  Sb2  1  0.7343  0.5000  0.1276  1
  Se  Se3  1  0.5349  0.0000  0.5854  1
]