data_[Cs1Ca2Dy1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4931]
_cell_length_b [8.9569]
_cell_length_c [6.6837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsCa2DyCl8]
_chemical_formula_sum '[Cs1 Ca2 Dy1 Cl8]'
_cell_volume [388.6204]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2524  0.5000  1.0
  Dy  Dy2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2420  0.2007  0.1738  1.0
  Cl  Cl4  2  0.2627  0.0000  0.6834  1.0
  Cl  Cl5  2  0.2751  0.5000  0.5995  1.0
]