data_[Ba4Pm4Si4N12]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9424]
_cell_length_b [3.8796]
_cell_length_c [7.8484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPmSiN3]
_chemical_formula_sum '[Ba4 Pm4 Si4 N12]'
_cell_volume [377.2086]
_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
[
  Ba  Ba0  4  0.1439  0.5000  0.0719  1
  Pm  Pm1  4  0.1507  0.5000  0.5737  1
  Si  Si2  4  0.0034  0.0000  0.2827  1
  N  N3  4  0.0038  0.5000  0.2951  1
  N  N4  4  0.1407  0.0000  0.7886  1
  N  N5  4  0.1490  0.0000  0.3497  1
]