data_[La2Sm4Ho6S12]
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
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8749]
_cell_length_b [11.8727]
_cell_length_c [6.9020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSm2(HoS2)3]
_chemical_formula_sum '[La2 Sm4 Ho6 S12]'
_cell_volume [531.1433]
_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  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  4  0.0000  0.3328  0.0000  1.0
  Ho  Ho2  4  0.0000  0.1655  0.5000  1.0
  Ho  Ho3  2  0.0000  0.5000  0.5000  1.0
  S  S4  8  0.2420  0.3308  0.7347  1.0
  S  S5  4  0.2495  0.5000  0.2638  1.0
]