data_[La2Nd2Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8622]
_cell_length_b [3.8622]
_cell_length_c [12.7955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [LaNdZr]
_chemical_formula_sum '[La2 Nd2 Zr2]'
_cell_volume [190.8638]
_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
[
  La  La0  2  0.0000  0.5000  0.6007  1
  Nd  Nd1  2  0.0000  0.5000  0.2052  1
  Zr  Zr2  2  0.0000  0.5000  0.9504  1
]