data_[Ba9La3Zn3Re3W3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7731]
_cell_length_b [5.7731]
_cell_length_c [28.5041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3LaZnReWO12]
_chemical_formula_sum '[Ba9 La3 Zn3 Re3 W3 O36]'
_cell_volume [822.7237]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2908  1.0
  Ba  Ba1  3  0.0000  0.0000  0.7057  1.0
  Ba  Ba2  3  0.0000  0.0000  0.8657  1.0
  La  La3  3  0.0000  0.0000  0.1110  1.0
  Zn  Zn4  3  0.0000  0.0000  0.9947  1.0
  Re  Re5  3  0.0000  0.0000  0.5804  1.0
  W  W6  3  0.0000  0.0000  0.4230  1.0
  O  O7  9  0.0086  0.5043  0.1234  1.0
  O  O8  9  0.0207  0.5104  0.2907  1.0
  O  O9  9  0.1669  0.3337  0.0481  1.0
  O  O10  9  0.1763  0.3525  0.2140  1.0
]