data_[Sm8Tm4Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8816]
_cell_length_b [16.3969]
_cell_length_c [11.8374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2TmMnS5]
_chemical_formula_sum '[Sm8 Tm4 Mn4 S20]'
_cell_volume [753.4179]
_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  0.1185  0.6925  1.0
  Sm  Sm1  4  0.0000  0.1214  0.3428  1.0
  Tm  Tm2  4  0.0000  0.1840  0.0231  1.0
  Mn  Mn3  4  0.0000  0.4489  0.4278  1.0
  S  S4  4  0.0000  0.0179  0.0245  1.0
  S  S5  4  0.0000  0.3004  0.6835  1.0
  S  S6  4  0.0000  0.3102  0.3603  1.0
  S  S7  4  0.0000  0.3469  0.0162  1.0
  S  S8  4  0.0000  0.4933  0.7533  1.0
]