data_[Nd5Er1Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6747]
_cell_length_b [3.6747]
_cell_length_c [19.8124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Nd5ErZn4]
_chemical_formula_sum '[Nd5 Er1 Zn4]'
_cell_volume [267.5391]
_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  2  0.5000  0.5000  0.1271  1.0
  Nd  Nd1  2  0.5000  0.5000  0.3132  1.0
  Nd  Nd2  1  0.5000  0.5000  0.5000  1.0
  Er  Er3  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn4  2  0.0000  0.0000  0.2192  1.0
  Zn  Zn5  2  0.0000  0.0000  0.4068  1.0
]