data_[K3La1Zr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.1496]
_cell_length_b [6.1496]
_cell_length_c [6.1496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [K3LaZr]
_chemical_formula_sum '[K3 La1 Zr1]'
_cell_volume [232.5634]
_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
[
  K  K0  3  0.0000  0.0000  0.5000  1
  La  La1  1  0.5000  0.5000  0.5000  1
  Zr  Zr2  1  0.0000  0.0000  0.0000  1
]