data_[Li2Dy4Sc6Se12]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8173]
_cell_length_b [11.8213]
_cell_length_c [6.8608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiDy2(ScSe2)3]
_chemical_formula_sum '[Li2 Dy4 Sc6 Se12]'
_cell_volume [521.2843]
_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  0.0000  0.0000  1
  Dy  Dy1  4  0.0000  0.3345  0.0000  1
  Sc  Sc2  4  0.0000  0.1673  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2477  0.1617  0.2591  1
  Se  Se5  4  0.2359  0.0000  0.7435  1
]