data_[Na2Pm1Mn1F6]
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
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7887]
_cell_length_b [5.8475]
_cell_length_c [5.9892]
_cell_angle_alpha [117.6919]
_cell_angle_beta [91.6206]
_cell_angle_gamma [117.3042]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2PmMnF6]
_chemical_formula_sum '[Na2 Pm1 Mn1 F6]'
_cell_volume [151.8148]
_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  1  0.2746  0.5342  0.7997  1
  Na  Na1  1  0.7872  0.5890  0.3620  1
  Pm  Pm2  1  0.0236  0.0309  0.0276  1
  Mn  Mn3  1  0.4820  0.0218  0.4834  1
  F  F4  1  0.1015  0.7463  0.1496  1
  F  F5  1  0.2261  0.8640  0.6991  1
  F  F6  1  0.3928  0.5011  0.1629  1
  F  F7  1  0.6785  0.5213  0.7232  1
  F  F8  1  0.6907  0.0916  0.1968  1
  F  F9  1  0.8310  0.0654  0.6984  1
]