data_[Cs2Y2Mg12]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4746]
_cell_length_b [7.3363]
_cell_length_c [11.6700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CsYMg6]
_chemical_formula_sum '[Cs2 Y2 Mg12]'
_cell_volume [468.7062]
_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  0.5000  0.0000  0.3707  1
  Y  Y1  2  0.0000  0.0000  0.1580  1
  Mg  Mg2  4  0.0000  0.2081  0.9090  1
  Mg  Mg3  4  0.5000  0.2169  0.0945  1
  Mg  Mg4  2  0.0000  0.0000  0.6466  1
  Mg  Mg5  2  0.5000  0.0000  0.8176  1
]