data_[Nd8Dy4Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  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 [3.9330]
_cell_length_b [16.5759]
_cell_length_c [11.9837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2DyMnS5]
_chemical_formula_sum '[Nd8 Dy4 Mn4 S20]'
_cell_volume [781.2486]
_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
[
  Nd  Nd0  4  0.0000  0.1184  0.6919  1.0
  Nd  Nd1  4  0.0000  0.1221  0.3429  1.0
  Dy  Dy2  4  0.0000  0.1839  0.0240  1.0
  Mn  Mn3  4  0.0000  0.4496  0.4275  1.0
  S  S4  4  0.0000  0.0174  0.0219  1.0
  S  S5  4  0.0000  0.3005  0.6845  1.0
  S  S6  4  0.0000  0.3123  0.3608  1.0
  S  S7  4  0.0000  0.3470  0.0163  1.0
  S  S8  4  0.0000  0.4933  0.7542  1.0
]