data_[Nd1Er1Cu10]
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 [Pmmm]
_cell_length_a [4.1091]
_cell_length_b [5.0774]
_cell_length_c [8.7327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [NdErCu10]
_chemical_formula_sum '[Nd1 Er1 Cu10]'
_cell_volume [182.1970]
_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  0.5000  0.5000  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.5000  0.2469  0.2452  1
  Cu  Cu3  2  0.0000  0.0000  0.3278  1
  Cu  Cu4  2  0.0000  0.5000  0.1612  1
  Cu  Cu5  1  0.5000  0.0000  0.5000  1
  Cu  Cu6  1  0.5000  0.5000  0.0000  1
]