data_[Ca4Mg4Ag8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.3001]
_cell_length_b [13.5432]
_cell_length_c [7.7335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaMg(AgI3)2]
_chemical_formula_sum '[Ca4 Mg4 Ag8 I24]'
_cell_volume [1872.1268]
_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
[
  Ca  Ca0  4  0.0000  0.1100  0.2500  1.0
  Mg  Mg1  4  0.0000  0.1949  0.7500  1.0
  Ag  Ag2  8  0.1798  0.4991  0.3692  1.0
  I  I3  8  0.0741  0.2745  0.0614  1.0
  I  I4  8  0.1008  0.0651  0.6358  1.0
  I  I5  8  0.1835  0.3659  0.6225  1.0
]