data_[K6Zr3Re9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3497]
_cell_length_b [7.3497]
_cell_length_c [18.4262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Zr(ReO4)3]
_chemical_formula_sum '[K6 Zr3 Re9 O36]'
_cell_volume [862.0036]
_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
[
  K  K0  6  0.0000  0.0000  0.3934  1
  Zr  Zr1  3  0.0000  0.0000  0.0000  1
  Re  Re2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0665  0.5332  0.5994  1
  O  O4  18  0.0801  0.5401  0.8490  1
]