data_[Ba2La2Cr2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0586]
_cell_length_b [5.7749]
_cell_length_c [7.5451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLaCrN4]
_chemical_formula_sum '[Ba2 La2 Cr2 N8]'
_cell_volume [252.2451]
_cell_formula_units_Z [2]
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  0.2854  0.7500  0.0748  1.0
  La  La1  2  0.2222  0.7500  0.5527  1.0
  Cr  Cr2  2  0.2328  0.2500  0.3176  1.0
  N  N3  4  0.0506  0.0111  0.2866  1.0
  N  N4  2  0.4066  0.2500  0.5442  1.0
  N  N5  2  0.4190  0.2500  0.1774  1.0
]