data_[Pm18As18O54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.2682]
_cell_length_b [14.2682]
_cell_length_c [8.8305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PmAsO3]
_chemical_formula_sum '[Pm18 As18 O54]'
_cell_volume [1556.8730]
_cell_formula_units_Z [18]
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  18  0.0470  0.2754  0.0856  1
  As  As1  18  0.0145  0.1620  0.6934  1
  O  O2  18  0.0115  0.7339  0.3768  1
  O  O3  18  0.0402  0.8488  0.1178  1
  O  O4  18  0.0859  0.8410  0.7340  1
]