data_[Pm4C4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0248]
_cell_length_b [3.7867]
_cell_length_c [6.7402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmCF]
_chemical_formula_sum '[Pm4 C4 F4]'
_cell_volume [177.4503]
_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  0.1574  0.5000  0.7301  1
  C  C1  4  0.0708  0.0000  0.4430  1
  F  F2  4  0.1783  0.5000  0.1001  1
]