data_[Pm4Mo8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.7298]
_cell_length_b [9.9346]
_cell_length_c [10.9755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [PmMo2F11]
_chemical_formula_sum '[Pm4 Mo8 F44]'
_cell_volume [842.8388]
_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  0.0000  0.5000  0.2500  1
  Mo  Mo1  8  0.1395  0.1804  0.0000  1
  F  F2  16  0.0951  0.3127  0.1377  1
  F  F3  16  0.2370  0.4286  0.3701  1
  F  F4  8  0.1327  0.2164  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]