data_[Na3Sm3Ho12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [8.0708]
_cell_length_b [8.0708]
_cell_length_c [20.0184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaSm(HoS2)4]
_chemical_formula_sum '[Na3 Sm3 Ho12 S24]'
_cell_volume [1129.2621]
_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
[
  Na  Na0  3  0.0000  0.0000  0.6265  1.0
  Sm  Sm1  3  0.0000  0.0000  0.9958  1.0
  Ho  Ho2  9  0.0119  0.5060  0.5014  1.0
  Ho  Ho3  3  0.0000  0.0000  0.3744  1.0
  S  S4  9  0.0172  0.5086  0.7544  1.0
  S  S5  9  0.1798  0.3596  0.5774  1.0
  S  S6  3  0.0000  0.0000  0.2420  1.0
  S  S7  3  0.0000  0.0000  0.7617  1.0
]