data_[Ba12Mg2Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0607]
_cell_length_b [4.8393]
_cell_length_c [15.4891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba6MgAg3]
_chemical_formula_sum '[Ba12 Mg2 Ag6]'
_cell_volume [908.9479]
_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
[
  Ba  Ba0  2  0.1110  0.2500  0.4342  1
  Ba  Ba1  2  0.1623  0.7500  0.9117  1
  Ba  Ba2  2  0.1636  0.7500  0.2000  1
  Ba  Ba3  2  0.2601  0.7500  0.6819  1
  Ba  Ba4  2  0.4393  0.2500  0.0969  1
  Ba  Ba5  2  0.4821  0.2500  0.6077  1
  Mg  Mg6  2  0.0826  0.2500  0.7208  1
  Ag  Ag7  2  0.0674  0.2500  0.0238  1
  Ag  Ag8  2  0.3064  0.7500  0.4678  1
  Ag  Ag9  2  0.3339  0.2500  0.8512  1
]