data_[Cs2Mg6In18]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2028]
_cell_length_b [15.5722]
_cell_length_c [8.1073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(MgIn3)3]
_chemical_formula_sum '[Cs2 Mg6 In18]'
_cell_volume [723.6856]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.2500  0.2500  0.0000  1
  Mg  Mg2  2  0.0000  0.5000  0.5000  1
  In  In3  8  0.1080  0.3848  0.2262  1
  In  In4  8  0.1759  0.8213  0.3492  1
  In  In5  2  0.0000  0.0000  0.5000  1
]