data_[Ba2Mg12W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1576]
_cell_length_b [6.6000]
_cell_length_c [11.4938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaMg6W]
_chemical_formula_sum '[Ba2 Mg12 W2]'
_cell_volume [391.2554]
_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  0.8321  1
  Mg  Mg1  4  0.0000  0.2264  0.5867  1
  Mg  Mg2  4  0.5000  0.2283  0.4260  1
  Mg  Mg3  2  0.0000  0.0000  0.3329  1
  Mg  Mg4  2  0.5000  0.0000  0.1641  1
  W  W5  2  0.5000  0.0000  0.6454  1
]