data_[Li2Dy12Se4S6]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5010]
_cell_length_b [3.9517]
_cell_length_c [8.1023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiDy6Se2S3]
_chemical_formula_sum '[Li2 Dy12 Se4 S6]'
_cell_volume [544.3812]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Dy  Dy1  4  0.0044  0.0000  0.7333  1
  Dy  Dy2  4  0.1617  0.5000  0.5951  1
  Dy  Dy3  4  0.1713  0.5000  0.0732  1
  Se  Se4  4  0.1673  0.0000  0.3359  1
  S  S5  4  0.1691  0.0000  0.8340  1
  S  S6  2  0.0000  0.5000  0.5000  1
]