data_[Pr12Er4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [10.9438]
_cell_length_b [10.9438]
_cell_length_c [5.0052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Pr6Er2In]
_chemical_formula_sum '[Pr12 Er4 In2]'
_cell_volume [599.4501]
_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  8  0.0068  0.3317  0.0000  1
  Pr  Pr1  4  0.1565  0.1565  0.5000  1
  Er  Er2  4  0.1627  0.8373  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
]