data_[La12Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1332]
_cell_length_b [7.3017]
_cell_length_c [15.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La6Cu5]
_chemical_formula_sum '[La12 Cu10]'
_cell_volume [575.8284]
_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  8  0.0000  0.2490  0.1648  1
  La  La1  4  0.0000  0.2494  0.5000  1
  Cu  Cu2  4  0.0000  0.0000  0.3321  1
  Cu  Cu3  4  0.0000  0.5000  0.3294  1
  Cu  Cu4  2  0.0000  0.5000  0.0000  1
]