data_[Pr6Er12Mg2]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.0454]
_cell_length_b [5.0882]
_cell_length_c [11.2690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3Er6Mg]
_chemical_formula_sum '[Pr6 Er12 Mg2]'
_cell_volume [633.1107]
_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  0.2460  0.2500  0.9942  1
  Pr  Pr1  2  0.3452  0.7500  0.7940  1
  Pr  Pr2  2  0.4482  0.2500  0.5979  1
  Er  Er3  2  0.0458  0.7500  0.8957  1
  Er  Er4  2  0.1384  0.2500  0.6886  1
  Er  Er5  2  0.1508  0.7500  0.1918  1
  Er  Er6  2  0.2361  0.7500  0.4942  1
  Er  Er7  2  0.3421  0.2500  0.2985  1
  Er  Er8  2  0.4468  0.7500  0.1023  1
  Mg  Mg9  2  0.0528  0.2500  0.3949  1
]