data_[Pr2Er6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [6.1881]
_cell_length_b [5.5745]
_cell_length_c [9.4412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrEr3Sc]
_chemical_formula_sum '[Pr2 Er6 Sc2]'
_cell_volume [307.9402]
_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  0.0693  0.2500  0.7987  1.0
  Er  Er1  2  0.1424  0.7500  0.5939  1.0
  Er  Er2  2  0.2747  0.2500  0.2106  1.0
  Er  Er3  2  0.3373  0.7500  0.0043  1.0
  Sc  Sc4  2  0.4631  0.2500  0.5942  1.0
]