data_[K1Rb2Zr1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0701]
_cell_length_b [6.1320]
_cell_length_c [6.2247]
_cell_angle_alpha [64.0802]
_cell_angle_beta [61.6487]
_cell_angle_gamma [64.0013]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KRb2ZrF6]
_chemical_formula_sum '[K1 Rb2 Zr1 F6]'
_cell_volume [175.4252]
_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
[
  Rb  Rb0  2  0.2481  0.2452  0.2503  1
  K  K1  1  0.5000  0.5000  0.5000  1
  Zr  Zr2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.1784  0.7842  0.2816  1
  F  F4  2  0.2295  0.6774  0.8676  1
  F  F5  2  0.3067  0.1454  0.7038  1
]