data_[Pr2Y2Er6Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1000]
_cell_length_b [3.6357]
_cell_length_c [11.5439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrYEr3Sc]
_chemical_formula_sum '[Pr2 Y2 Er6 Sc2]'
_cell_volume [371.3594]
_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
[
  Pr  Pr0  2  0.4639  0.2500  0.3561  1.0
  Y  Y1  2  0.1020  0.7500  0.2654  1.0
  Er  Er2  2  0.1535  0.2500  0.0127  1.0
  Er  Er3  2  0.1729  0.2500  0.5374  1.0
  Er  Er4  2  0.2455  0.7500  0.7961  1.0
  Sc  Sc5  2  0.4492  0.7500  0.0973  1.0
]