data_[La4Sm4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6533]
_cell_length_b [5.6613]
_cell_length_c [9.5786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSmSb]
_chemical_formula_sum '[La4 Sm4 Sb4]'
_cell_volume [387.5533]
_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  0.1993  0.5000  0.4051  1
  Sm  Sm1  4  0.2071  0.5000  0.8945  1
  Sb  Sb2  4  0.0117  0.0000  0.7578  1
]