data_[Sm8Ho4Cu4S20]
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 [3.8807]
_cell_length_b [16.7854]
_cell_length_c [11.5565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2HoCuS5]
_chemical_formula_sum '[Sm8 Ho4 Cu4 S20]'
_cell_volume [752.7756]
_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  0.1079  0.6857  1
  Sm  Sm1  4  0.0000  0.1216  0.3098  1
  Ho  Ho2  4  0.0000  0.1948  0.0103  1
  Cu  Cu3  4  0.0000  0.4419  0.4550  1
  S  S4  4  0.0000  0.0429  0.0611  1
  S  S5  4  0.0000  0.2889  0.6746  1
  S  S6  4  0.0000  0.3148  0.3474  1
  S  S7  4  0.0000  0.3573  0.0016  1
  S  S8  4  0.0000  0.4983  0.7787  1
]