data_[Li2Sm2In4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2851]
_cell_length_b [7.4987]
_cell_length_c [12.6510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiSm(InCl3)2]
_chemical_formula_sum '[Li2 Sm2 In4 Cl12]'
_cell_volume [566.9316]
_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
[
  Li  Li0  2  0.5000  0.0000  0.0000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.2678  0.5619  0.7545  1.0
  Cl  Cl3  4  0.1769  0.5159  0.2554  1.0
  Cl  Cl4  4  0.2465  0.2043  0.0399  1.0
  Cl  Cl5  4  0.3388  0.7064  0.0384  1.0
]