data_[Ba3Pm1P2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0495]
_cell_length_b [6.0495]
_cell_length_c [7.3625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Pm(PN3)2]
_chemical_formula_sum '[Ba3 Pm1 P2 N6]'
_cell_volume [233.3387]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.6975  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Pm  Pm2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3333  0.6667  0.2627  1
  N  N4  6  0.1818  0.3637  0.2920  1
]