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 [Pm]
_cell_length_a [4.8840]
_cell_length_b [3.4005]
_cell_length_c [8.5667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaZrCu]
_chemical_formula_sum '[La2 Zr2 Cu2]'
_cell_volume [142.2623]
_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  0.1778  0.0000  0.5999  1
  La  La1  1  0.6602  0.0000  0.9818  1
  Zr  Zr2  1  0.1650  0.5000  0.2259  1
  Zr  Zr3  1  0.6693  0.0000  0.3611  1
  Cu  Cu4  1  0.1530  0.5000  0.8912  1
  Cu  Cu5  1  0.6838  0.5000  0.6718  1
]