data_[Pr3Nd2Er7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8412]
_cell_length_b [3.5907]
_cell_length_c [18.9672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr3Nd2Er7]
_chemical_formula_sum '[Pr3 Nd2 Er7]'
_cell_volume [397.2587]
_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
[
  Pr  Pr0  2  0.2235  0.0000  0.3689  1.0
  Pr  Pr1  1  0.5000  0.5000  0.0000  1.0
  Nd  Nd2  2  0.2887  0.5000  0.7090  1.0
  Er  Er3  2  0.1931  0.5000  0.1709  1.0
  Er  Er4  2  0.2578  0.5000  0.5388  1.0
  Er  Er5  2  0.3091  0.0000  0.8579  1.0
  Er  Er6  1  0.0000  0.0000  0.0000  1.0
]