data_[Cs1Y1Mg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6428]
_cell_length_b [6.7533]
_cell_length_c [9.4392]
_cell_angle_alpha [72.1123]
_cell_angle_beta [74.1050]
_cell_angle_gamma [72.6760]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsYMg2Cl8]
_chemical_formula_sum '[Cs1 Y1 Mg2 Cl8]'
_cell_volume [376.8639]
_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  0.0000  0.5000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4603  0.4518  0.7106  1.0
  Cl  Cl3  2  0.1838  0.7096  0.2252  1.0
  Cl  Cl4  2  0.2585  0.7773  0.8015  1.0
  Cl  Cl5  2  0.2791  0.2333  0.9451  1.0
  Cl  Cl6  2  0.3892  0.3008  0.5324  1.0
]