data_[Ca4Nd2Cr2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  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 [7.3458]
_cell_length_b [6.7232]
_cell_length_c [5.2924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ca2NdCrN4]
_chemical_formula_sum '[Ca4 Nd2 Cr2 N8]'
_cell_volume [261.3752]
_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
[
  Ca  Ca0  4  0.2437  0.6610  0.9612  1
  Nd  Nd1  2  0.0000  0.8700  0.4629  1
  Cr  Cr2  2  0.0000  0.1796  0.0020  1
  N  N3  4  0.2114  0.3049  0.9184  1
  N  N4  2  0.0000  0.1910  0.3368  1
  N  N5  2  0.0000  0.9096  0.9391  1
]