data_[Pr2Er2I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [18.2264]
_cell_length_b [4.1055]
_cell_length_c [20.5950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrErI5]
_chemical_formula_sum '[Pr2 Er2 I10]'
_cell_volume [1541.1048]
_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  0.2500  0.0000  0.5204  1
  Er  Er1  2  0.0000  0.5000  0.5000  1
  I  I2  4  0.0624  0.0000  0.5924  1
  I  I3  4  0.1468  0.5000  0.4294  1
  I  I4  2  0.2500  0.5000  0.6358  1
]