data_[Pr3Y2Er7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8438]
_cell_length_b [3.5689]
_cell_length_c [18.9382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr3Y2Er7]
_chemical_formula_sum '[Pr3 Y2 Er7]'
_cell_volume [394.5131]
_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  0.2217  0.0000  0.3672  1.0
  Pr  Pr1  1  0.5000  0.5000  0.0000  1.0
  Y  Y2  2  0.2887  0.5000  0.7089  1.0
  Er  Er3  2  0.1949  0.5000  0.1745  1.0
  Er  Er4  2  0.2570  0.5000  0.5382  1.0
  Er  Er5  2  0.3085  0.0000  0.8573  1.0
  Er  Er6  1  0.0000  0.0000  0.0000  1.0
]