data_[Pm1Sm1I2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0308]
_cell_length_b [4.0308]
_cell_length_c [9.2503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PmSm(IO)2]
_chemical_formula_sum '[Pm1 Sm1 I2 O2]'
_cell_volume [150.2945]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8753  1
  Sm  Sm1  1  0.5000  0.5000  0.1240  1
  I  I2  1  0.0000  0.0000  0.3299  1
  I  I3  1  0.5000  0.5000  0.6694  1
  O  O4  2  0.0000  0.5000  0.0007  1
]