data_[Ba2Mg28Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4211]
_cell_length_b [6.4449]
_cell_length_c [11.6156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaMg14Si]
_chemical_formula_sum '[Ba2 Mg28 Si2]'
_cell_volume [780.1394]
_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  0.5000  0.0000  0.6784  1
  Mg  Mg1  8  0.2388  0.2405  0.0800  1
  Mg  Mg2  4  0.0000  0.2429  0.4164  1
  Mg  Mg3  4  0.2312  0.0000  0.8379  1
  Mg  Mg4  4  0.2721  0.0000  0.3244  1
  Mg  Mg5  4  0.5000  0.2387  0.9333  1
  Mg  Mg6  2  0.0000  0.0000  0.1708  1
  Mg  Mg7  2  0.0000  0.0000  0.6663  1
  Si  Si8  2  0.5000  0.0000  0.1403  1
]