data_[Pr4Er16In2]
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 [18.0068]
_cell_length_b [4.9231]
_cell_length_c [7.8359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Er8In]
_chemical_formula_sum '[Pr4 Er16 In2]'
_cell_volume [670.4235]
_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  0.2211  0.0000  0.6344  1.0
  Er  Er1  4  0.0438  0.0000  0.7242  1.0
  Er  Er2  4  0.0879  0.5000  0.4426  1.0
  Er  Er3  4  0.1327  0.0000  0.1719  1.0
  Er  Er4  4  0.1800  0.5000  0.9091  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
]