data_[Pm2Er4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1565]
_cell_length_b [11.0626]
_cell_length_c [7.3237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm(ErI4)2]
_chemical_formula_sum '[Pm2 Er4 I16]'
_cell_volume [1227.5036]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.1800  0.0000  0.6410  1
  I  I2  8  0.0810  0.2083  0.7609  1
  I  I3  4  0.1415  0.5000  0.2489  1
  I  I4  4  0.1793  0.0000  0.2407  1
]