data_[K3Zr6Cr3]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2695]
_cell_length_b [3.2695]
_cell_length_c [33.6354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KZr2Cr]
_chemical_formula_sum '[K3 Zr6 Cr3]'
_cell_volume [311.3863]
_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  3  0.0000  0.0000  0.7547  1
  Zr  Zr1  3  0.0000  0.0000  0.2455  1
  Zr  Zr2  3  0.0000  0.0000  0.9859  1
  Cr  Cr3  3  0.0000  0.0000  0.5139  1
]