data_[Ca8Cr4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [10.9534]
_cell_length_b [5.0485]
_cell_length_c [6.5906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2CrN2]
_chemical_formula_sum '[Ca8 Cr4 N8]'
_cell_volume [317.3522]
_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
[
  Ca  Ca0  4  0.0334  0.0000  0.7751  1.0
  Ca  Ca1  4  0.1806  0.5000  0.6199  1.0
  Cr  Cr2  4  0.1316  0.5000  0.1328  1.0
  N  N3  4  0.0104  0.5000  0.7981  1.0
  N  N4  4  0.1943  0.0000  0.6315  1.0
]