data_[Ba3Sm3Ho12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [R3m]
_cell_length_a [8.2104]
_cell_length_b [8.2104]
_cell_length_c [20.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaSm(HoS2)4]
_chemical_formula_sum '[Ba3 Sm3 Ho12 S24]'
_cell_volume [1188.7857]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.3733  1
  Sm  Sm1  3  0.0000  0.0000  0.0019  1
  Ho  Ho2  9  0.1690  0.3380  0.8327  1
  Ho  Ho3  3  0.0000  0.0000  0.6252  1
  S  S4  9  0.0444  0.5222  0.7585  1
  S  S5  9  0.1740  0.3480  0.5791  1
  S  S6  3  0.0000  0.0000  0.2312  1
  S  S7  3  0.0000  0.0000  0.7572  1
]