data_[Ba2Mg12Si7]
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 [P-3]
_cell_length_a [11.0611]
_cell_length_b [11.0611]
_cell_length_c [4.4269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ba2Mg12Si7]
_chemical_formula_sum '[Ba2 Mg12 Si7]'
_cell_volume [469.0593]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.2573  1
  Mg  Mg1  6  0.0510  0.4294  0.7511  1
  Mg  Mg2  6  0.1115  0.2548  0.2563  1
  Si  Si3  6  0.1131  0.7045  0.7551  1
  Si  Si4  1  0.0000  0.0000  0.5000  1
]