data_[Ba2Zn4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4439]
_cell_length_b [3.0144]
_cell_length_c [6.5822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaZn2W]
_chemical_formula_sum '[Ba2 Zn4 W2]'
_cell_volume [185.3069]
_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  0.0084  0.5000  0.4958  1
  Zn  Zn1  2  0.2682  0.0000  0.8255  1
  Zn  Zn2  2  0.4926  0.5000  0.0385  1
  W  W3  2  0.2308  0.5000  0.1402  1
]