data_[Pr2Y7Er1]
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 [P-1]
_cell_length_a [6.2190]
_cell_length_b [6.2208]
_cell_length_c [9.5030]
_cell_angle_alpha [70.9779]
_cell_angle_beta [70.8986]
_cell_angle_gamma [80.5232]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2Y7Er]
_chemical_formula_sum '[Pr2 Y7 Er1]'
_cell_volume [327.7403]
_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  0.1002  0.5029  0.2986  1
  Y  Y1  2  0.1995  0.9989  0.6013  1
  Y  Y2  2  0.2986  0.5002  0.9012  1
  Y  Y3  2  0.4014  0.0002  0.1989  1
  Y  Y4  1  0.5000  0.5000  0.5000  1
  Er  Er5  1  0.0000  0.0000  0.0000  1
]