data_[La3Sm6Ho3S18]
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 [R3]
_cell_length_a [7.1063]
_cell_length_b [7.1063]
_cell_length_c [18.7554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaSm2HoS6]
_chemical_formula_sum '[La3 Sm6 Ho3 S18]'
_cell_volume [820.2356]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8095  1
  Sm  Sm1  3  0.0000  0.0000  0.0167  1
  Sm  Sm2  3  0.0000  0.0000  0.5213  1
  Ho  Ho3  3  0.0000  0.0000  0.3168  1
  S  S4  9  0.0101  0.3088  0.9167  1
  S  S5  9  0.0505  0.6799  0.0824  1
]