data_[Sm4Ho8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7964]
_cell_length_b [17.8738]
_cell_length_c [11.0711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmHo2CuS5]
_chemical_formula_sum '[Sm4 Ho8 Cu4 S20]'
_cell_volume [751.2472]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  4  0.0000  0.1957  0.0094  1.0
  Ho  Ho1  4  0.0000  0.0923  0.6827  1.0
  Ho  Ho2  4  0.0000  0.1111  0.3083  1.0
  Cu  Cu3  4  0.0000  0.4372  0.4524  1.0
  S  S4  4  0.0000  0.0457  0.0633  1.0
  S  S5  4  0.0000  0.3008  0.6921  1.0
  S  S6  4  0.0000  0.3290  0.3317  1.0
  S  S7  4  0.0000  0.3591  0.0044  1.0
  S  S8  4  0.0000  0.4960  0.7797  1.0
]