data_[Ba4Y1Cu1W2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9664]
_cell_length_b [5.9664]
_cell_length_c [8.4887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba4YCu(WO6)2]
_chemical_formula_sum '[Ba4 Y1 Cu1 W2 O12]'
_cell_volume [302.1840]
_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  4  0.0000  0.5000  0.2661  1.0
  Y  Y1  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.5000  1.0
  W  W3  1  0.0000  0.0000  0.0000  1.0
  W  W4  1  0.5000  0.5000  0.5000  1.0
  O  O5  4  0.2343  0.2343  0.0000  1.0
  O  O6  4  0.2692  0.2692  0.5000  1.0
  O  O7  2  0.0000  0.0000  0.2281  1.0
  O  O8  2  0.5000  0.5000  0.2649  1.0
]