data_[Nd2Er2Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5024]
_cell_length_b [5.4630]
_cell_length_c [7.1729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NdErCu2]
_chemical_formula_sum '[Nd2 Er2 Cu4]'
_cell_volume [176.4282]
_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
[
  Nd  Nd0  2  0.5000  0.3800  0.8216  1
  Er  Er1  2  0.0000  0.1133  0.1824  1
  Cu  Cu2  2  0.0000  0.3686  0.5311  1
  Cu  Cu3  2  0.5000  0.1173  0.4649  1
]