data_[K9Ca9Re3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  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 [6.8685]
_cell_length_b [6.8685]
_cell_length_c [18.6802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Ca3ReO8]
_chemical_formula_sum '[K9 Ca9 Re3 O24]'
_cell_volume [763.1960]
_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  9  0.0000  0.5000  0.5000  1.0
  Ca  Ca1  9  0.0000  0.5000  0.0000  1.0
  Re  Re2  3  0.0000  0.0000  0.0000  1.0
  O  O3  18  0.0661  0.5331  0.7245  1.0
  O  O4  6  0.0000  0.0000  0.2721  1.0
]