data_[Nd4Zn1Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8659]
_cell_length_b [4.5298]
_cell_length_c [10.9719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4ZnCu3]
_chemical_formula_sum '[Nd4 Zn1 Cu3]'
_cell_volume [192.1383]
_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
[
  Nd  Nd0  1  0.0000  0.0000  0.1453  1.0
  Nd  Nd1  1  0.0000  0.5000  0.8493  1.0
  Nd  Nd2  1  0.5000  0.0000  0.6422  1.0
  Nd  Nd3  1  0.5000  0.5000  0.3611  1.0
  Zn  Zn4  1  0.5000  0.5000  0.0682  1.0
  Cu  Cu5  1  0.0000  0.0000  0.4362  1.0
  Cu  Cu6  1  0.0000  0.5000  0.5666  1.0
  Cu  Cu7  1  0.5000  0.0000  0.9311  1.0
]