data_[Cs6Dy2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1282]
_cell_length_b [8.5309]
_cell_length_c [14.0984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3DyCl6]
_chemical_formula_sum '[Cs6 Dy2 Cl12]'
_cell_volume [803.3881]
_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
[
  Cs  Cs0  4  0.2756  0.5616  0.2539  1.0
  Cs  Cs1  2  0.5000  0.0000  0.5000  1.0
  Dy  Dy2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1088  0.5455  0.7154  1.0
  Cl  Cl4  4  0.2294  0.2432  0.5654  1.0
  Cl  Cl5  4  0.3096  0.6734  0.5459  1.0
]