data_[La4Sm2Sc4In10]
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
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.7908]
_cell_length_b [10.7908]
_cell_length_c [4.6857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [La2SmSc2In5]
_chemical_formula_sum '[La4 Sm2 Sc4 In10]'
_cell_volume [545.6065]
_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  0.1788  0.6788  0.0000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  4  0.1187  0.3813  0.0000  1.0
  In  In3  8  0.0631  0.2051  0.5000  1.0
  In  In4  2  0.0000  0.5000  0.5000  1.0
]