data_[K10Zr2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.0127]
_cell_length_b [3.8560]
_cell_length_c [24.3421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K5Zr]
_chemical_formula_sum '[K10 Zr2]'
_cell_volume [658.2360]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.3366  1
  K  K1  2  0.0000  0.0000  0.6565  1
  K  K2  2  0.0000  0.0000  0.9794  1
  K  K3  2  0.5000  0.0000  0.2515  1
  K  K4  2  0.5000  0.0000  0.5448  1
  Zr  Zr5  2  0.5000  0.0000  0.8978  1
]