data_[La6Sm8In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.5695]
_cell_length_b [7.2424]
_cell_length_c [6.3447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La3Sm4In]
_chemical_formula_sum '[La6 Sm8 In2]'
_cell_volume [531.6278]
_cell_formula_units_Z [2]
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  0.2411  0.8887  0.1590  1
  La  La1  2  0.0000  0.8734  0.4964  1
  Sm  Sm2  4  0.2350  0.3722  0.1380  1
  Sm  Sm3  2  0.0000  0.3684  0.4895  1
  Sm  Sm4  2  0.0000  0.6259  0.9574  1
  In  In5  2  0.0000  0.1329  0.9779  1
]