data_[Na1Pm1Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9640]
_cell_length_b [4.3436]
_cell_length_c [7.6102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaPmBr4]
_chemical_formula_sum '[Na1 Pm1 Br4]'
_cell_volume [229.5317]
_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  0.0000  0.5000  0.5000  1
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Br  Br2  2  0.2143  0.0000  0.6967  1
  Br  Br3  2  0.2356  0.5000  0.1609  1
]