data_[Li2La4Zr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.3528]
_cell_length_b [7.3528]
_cell_length_c [5.1935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li(LaZr)2]
_chemical_formula_sum '[Li2 La4 Zr4]'
_cell_volume [280.7826]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  La  La1  4  0.1691  0.6691  0.5000  1
  Zr  Zr2  4  0.1355  0.3645  0.0000  1
]