# generated using pymatgen
data_BaCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46819848
_cell_length_b   6.46819848
_cell_length_c   7.82344300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.91374281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrN2
_chemical_formula_sum   'Ba4 Cr4 N8'
_cell_volume   265.09193680
_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
  Ba  Ba0  1  0.84116900  0.15883100  0.55974100  1.0
  Ba  Ba1  1  0.15883100  0.84116900  0.44025900  1.0
  Ba  Ba2  1  0.65883100  0.34116900  0.05974100  1.0
  Ba  Ba3  1  0.34116900  0.65883100  0.94025900  1.0
  Cr  Cr4  1  0.55094500  0.44905500  0.63550100  1.0
  Cr  Cr5  1  0.44905500  0.55094500  0.36449900  1.0
  Cr  Cr6  1  0.94905500  0.05094500  0.13550100  1.0
  Cr  Cr7  1  0.05094500  0.94905500  0.86449900  1.0
  N  N8  1  0.89351800  0.10648200  0.91078700  1.0
  N  N9  1  0.10648200  0.89351800  0.08921300  1.0
  N  N10  1  0.60648200  0.39351800  0.41078700  1.0
  N  N11  1  0.39351800  0.60648200  0.58921300  1.0
  N  N12  1  0.34265100  0.15734900  0.75000000  1.0
  N  N13  1  0.15734900  0.34265100  0.25000000  1.0
  N  N14  1  0.65734900  0.84265100  0.25000000  1.0
  N  N15  1  0.84265100  0.65734900  0.75000000  1.0