# generated using pymatgen
data_CaCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69276000
_cell_length_b   3.69276000
_cell_length_c   7.35009300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrN2
_chemical_formula_sum   'Ca2 Cr2 N4'
_cell_volume   100.22936986
_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  1  0.75000000  0.75000000  0.15925400  1.0
  Ca  Ca1  1  0.25000000  0.25000000  0.84074600  1.0
  Cr  Cr2  1  0.75000000  0.75000000  0.59292300  1.0
  Cr  Cr3  1  0.25000000  0.25000000  0.40707700  1.0
  N  N4  1  0.75000000  0.25000000  0.50000000  1.0
  N  N5  1  0.25000000  0.75000000  0.50000000  1.0
  N  N6  1  0.75000000  0.75000000  0.83494000  1.0
  N  N7  1  0.25000000  0.25000000  0.16506000  1.0