data_[Ba4Pm4Cr4N12]
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
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4100]
_cell_length_b [3.8301]
_cell_length_c [7.7193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPmCrN3]
_chemical_formula_sum '[Ba4 Pm4 Cr4 N12]'
_cell_volume [381.7035]
_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  0.1387  0.5000  0.0758  1
  Pm  Pm1  4  0.1536  0.5000  0.5695  1
  Cr  Cr2  4  0.0027  0.0000  0.6928  1
  N  N3  4  0.0044  0.5000  0.3055  1
  N  N4  4  0.1396  0.0000  0.7936  1
  N  N5  4  0.1546  0.0000  0.3542  1
]