data_[Na2Pm1Cu1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8648]
_cell_length_b [5.4612]
_cell_length_c [8.2089]
_cell_angle_alpha [84.2874]
_cell_angle_beta [89.8277]
_cell_angle_gamma [86.0303]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2PmCuF8]
_chemical_formula_sum '[Na2 Pm1 Cu1 F8]'
_cell_volume [171.9882]
_cell_formula_units_Z [1]
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
[
  Na  Na0  2  0.4951  0.4781  0.7636  1
  Pm  Pm1  1  0.0000  0.0000  0.5000  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.0244  0.3201  0.3034  1
  F  F4  2  0.0539  0.1479  0.7977  1
  F  F5  2  0.3567  0.7761  0.9770  1
  F  F6  2  0.4916  0.2146  0.5622  1
]