# generated using pymatgen
data_Ba3CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33785700
_cell_length_b   8.33785732
_cell_length_c   5.49712178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3CrN3
_chemical_formula_sum   'Ba6 Cr2 N6'
_cell_volume   330.95951447
_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  1  0.63887241  0.71993901  0.75000000  1.0
  Ba  Ba1  1  0.91893240  0.63887241  0.25000000  1.0
  Ba  Ba2  1  0.71993901  0.08106760  0.25000000  1.0
  Ba  Ba3  1  0.28006099  0.91893240  0.75000000  1.0
  Ba  Ba4  1  0.08106760  0.36112759  0.75000000  1.0
  Ba  Ba5  1  0.36112759  0.28006099  0.25000000  1.0
  Cr  Cr6  1  0.66666700  0.33333300  0.75000000  1.0
  Cr  Cr7  1  0.33333300  0.66666700  0.25000000  1.0
  N  N8  1  0.54636051  0.68149718  0.25000000  1.0
  N  N9  1  0.86486234  0.54636051  0.75000000  1.0
  N  N10  1  0.68149718  0.13513766  0.75000000  1.0
  N  N11  1  0.31850282  0.86486234  0.25000000  1.0
  N  N12  1  0.13513766  0.45363949  0.25000000  1.0
  N  N13  1  0.45363949  0.31850282  0.75000000  1.0