data_[Ba2Sr12Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6669]
_cell_length_b [13.2854]
_cell_length_c [13.2667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaSr6Mg]
_chemical_formula_sum '[Ba2 Sr12 Mg2]'
_cell_volume [822.5499]
_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  0.0000  0.0000  0.8502  1
  Sr  Sr1  4  0.0000  0.2243  0.6254  1
  Sr  Sr2  4  0.5000  0.2443  0.3762  1
  Sr  Sr3  2  0.0000  0.0000  0.3997  1
  Sr  Sr4  2  0.5000  0.0000  0.1302  1
  Mg  Mg5  2  0.5000  0.0000  0.6173  1
]