data_[Cs4Mg4Cu8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1160]
_cell_length_b [16.3849]
_cell_length_c [8.4331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsMg(CuI3)2]
_chemical_formula_sum '[Cs4 Mg4 Cu8 I24]'
_cell_volume [1933.8391]
_cell_formula_units_Z [4]
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  0.0000  0.1091  0.2500  1.0
  Mg  Mg1  4  0.0000  0.2196  0.7500  1.0
  Cu  Cu2  8  0.1856  0.4324  0.1540  1.0
  I  I3  8  0.0861  0.2923  0.0589  1.0
  I  I4  8  0.1283  0.0984  0.7312  1.0
  I  I5  8  0.1425  0.4591  0.4211  1.0
]