data_[Ba2Ca4Cr2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6506]
_cell_length_b [6.2637]
_cell_length_c [5.8727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaCa2CrN4]
_chemical_formula_sum '[Ba2 Ca4 Cr2 N8]'
_cell_volume [281.4244]
_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  0.0000  0.1190  0.5208  1.0
  Ca  Ca1  4  0.2393  0.3417  0.0081  1.0
  Cr  Cr2  2  0.0000  0.8041  0.9969  1.0
  N  N3  4  0.1884  0.6950  0.1236  1.0
  N  N4  2  0.0000  0.0887  0.0143  1.0
  N  N5  2  0.0000  0.7368  0.7046  1.0
]