data_[Pm4P4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5543]
_cell_length_b [6.3862]
_cell_length_c [6.7115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmPIO4]
_chemical_formula_sum '[Pm4 P4 I4 O16]'
_cell_volume [487.8180]
_cell_formula_units_Z [4]
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  4  0.1980  0.5000  0.8153  1
  P  P1  4  0.1355  0.5000  0.2527  1
  I  I2  4  0.0343  0.0000  0.7001  1
  O  O3  8  0.1788  0.3075  0.1357  1
  O  O4  4  0.0015  0.5000  0.2309  1
  O  O5  4  0.1944  0.5000  0.4755  1
]