data_[Pm2Ag2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1261]
_cell_length_b [4.4379]
_cell_length_c [7.7698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmAgI4]
_chemical_formula_sum '[Pm2 Ag2 I8]'
_cell_volume [532.3911]
_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
  Ag  Ag1  2  0.0000  0.5000  0.5000  1
  I  I2  4  0.1051  0.0000  0.4398  1
  I  I3  4  0.1243  0.5000  0.9766  1
]