data_[Sm8Mg4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8735]
_cell_length_b [16.5639]
_cell_length_c [11.4704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2MgZnS5]
_chemical_formula_sum '[Sm8 Mg4 Zn4 S20]'
_cell_volume [735.9556]
_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  0.1140  0.6869  1.0
  Sm  Sm1  4  0.0000  0.1321  0.3028  1.0
  Mg  Mg2  4  0.0000  0.2050  0.0121  1.0
  Zn  Zn3  4  0.0000  0.4447  0.4590  1.0
  S  S4  4  0.0000  0.0487  0.0656  1.0
  S  S5  4  0.0000  0.2869  0.6653  1.0
  S  S6  4  0.0000  0.3123  0.3543  1.0
  S  S7  4  0.0000  0.3566  0.0002  1.0
  S  S8  4  0.0000  0.4970  0.7777  1.0
]