data_[La6Pr2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1962]
_cell_length_b [7.1733]
_cell_length_c [7.6388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3PrCu]
_chemical_formula_sum '[La6 Pr2 Cu2]'
_cell_volume [328.8659]
_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  4  0.0183  0.0050  0.7274  1.0
  La  La1  2  0.4118  0.7500  0.0891  1.0
  Pr  Pr2  2  0.4801  0.7500  0.5882  1.0
  Cu  Cu3  2  0.1807  0.2500  0.0483  1.0
]