data_[La1Nd3Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5950]
_cell_length_b [4.5487]
_cell_length_c [7.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaNd3Cu4]
_chemical_formula_sum '[La1 Nd3 Cu4]'
_cell_volume [186.4676]
_cell_formula_units_Z [1]
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  0.3730  0.0000  0.8204  1
  Nd  Nd1  1  0.1276  0.0000  0.3214  1
  Nd  Nd2  1  0.6290  0.5000  0.1818  1
  Nd  Nd3  1  0.8723  0.5000  0.6778  1
  Cu  Cu4  1  0.1169  0.5000  0.0377  1
  Cu  Cu5  1  0.3785  0.5000  0.5293  1
  Cu  Cu6  1  0.6227  0.0000  0.4639  1
  Cu  Cu7  1  0.8799  0.0000  0.9677  1
]