data_[Li4Dy8Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [3.7868]
_cell_length_b [17.7327]
_cell_length_c [10.4220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiDy2MnS5]
_chemical_formula_sum '[Li4 Dy8 Mn4 S20]'
_cell_volume [699.8377]
_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
[
  Li  Li0  4  0.0000  0.2248  0.9978  1.0
  Dy  Dy1  4  0.0000  0.1042  0.3026  1.0
  Dy  Dy2  4  0.0000  0.1149  0.6861  1.0
  Mn  Mn3  4  0.0000  0.4079  0.4855  1.0
  S  S4  4  0.0000  0.0289  0.0645  1.0
  S  S5  4  0.0000  0.3078  0.3365  1.0
  S  S6  4  0.0000  0.3205  0.6556  1.0
  S  S7  4  0.0000  0.3586  0.9954  1.0
  S  S8  4  0.0000  0.4823  0.3001  1.0
]