data_[La2Zr2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.8850]
_cell_length_b [4.8850]
_cell_length_c [6.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaZrCu]
_chemical_formula_sum '[La2 Zr2 Cu2]'
_cell_volume [142.3991]
_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  1  0.0000  0.0000  0.2869  1
  La  La1  1  0.6667  0.3333  0.5640  1
  Zr  Zr2  1  0.0000  0.0000  0.8117  1
  Zr  Zr3  1  0.3333  0.6667  0.9900  1
  Cu  Cu4  1  0.3333  0.6667  0.5860  1
  Cu  Cu5  1  0.6667  0.3333  0.0213  1
]