data_[Ba1La2Cr2N6]
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 [P-1]
_cell_length_a [6.0856]
_cell_length_b [6.1649]
_cell_length_c [6.7699]
_cell_angle_alpha [65.2360]
_cell_angle_beta [63.3539]
_cell_angle_gamma [65.7537]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLa2(CrN3)2]
_chemical_formula_sum '[Ba1 La2 Cr2 N6]'
_cell_volume [198.2167]
_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  1  0.5000  0.5000  0.5000  1
  La  La1  2  0.2342  0.2099  0.1953  1
  Cr  Cr2  2  0.0220  0.8360  0.1823  1
  N  N3  2  0.0702  0.3916  0.8152  1
  N  N4  2  0.1628  0.9988  0.6224  1
  N  N5  2  0.3415  0.7875  0.1221  1
]