data_[Nd4Er4Zn12]
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 [C2/m]
_cell_length_a [14.4239]
_cell_length_b [4.8550]
_cell_length_c [6.3924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdErZn3]
_chemical_formula_sum '[Nd4 Er4 Zn12]'
_cell_volume [441.4698]
_cell_formula_units_Z [4]
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  4  0.1118  0.5000  0.9537  1
  Er  Er1  4  0.1808  0.0000  0.6078  1
  Zn  Zn2  4  0.0170  0.0000  0.2207  1
  Zn  Zn3  4  0.0778  0.5000  0.4142  1
  Zn  Zn4  4  0.2009  0.0000  0.1625  1
]