data_[Sm8Mn4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  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 [3.8273]
_cell_length_b [16.3351]
_cell_length_c [11.2287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2MnCuS5]
_chemical_formula_sum '[Sm8 Mn4 Cu4 S20]'
_cell_volume [702.0191]
_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  0.1128  0.6930  1
  Sm  Sm1  4  0.0000  0.1277  0.3057  1
  Mn  Mn2  4  0.0000  0.1987  0.0152  1
  Cu  Cu3  4  0.0000  0.4311  0.4531  1
  S  S4  4  0.0000  0.0583  0.0597  1
  S  S5  4  0.0000  0.2849  0.6619  1
  S  S6  4  0.0000  0.3037  0.3535  1
  S  S7  4  0.0000  0.3500  0.0027  1
  S  S8  4  0.0000  0.4990  0.7790  1
]