data_[Pr16Er4In2]
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 [C2/m]
_cell_length_a [18.5352]
_cell_length_b [5.0819]
_cell_length_c [8.2076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Er2In]
_chemical_formula_sum '[Pr16 Er4 In2]'
_cell_volume [743.3291]
_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  4  0.0449  0.0000  0.7279  1.0
  Pr  Pr1  4  0.0921  0.5000  0.4428  1.0
  Pr  Pr2  4  0.1368  0.0000  0.1806  1.0
  Pr  Pr3  4  0.1787  0.5000  0.9082  1.0
  Er  Er4  4  0.2255  0.0000  0.6330  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]