# generated using pymatgen
data_Ba2CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17018000
_cell_length_b   4.16130900
_cell_length_c   7.30315321
_cell_angle_alpha   106.55275375
_cell_angle_beta   106.58907194
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrN2
_chemical_formula_sum   'Ba2 Cr1 N2'
_cell_volume   115.96871000
_cell_formula_units_Z   1
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  0.85358900  0.85358900  0.20717900  1.0
  Ba  Ba1  1  0.14641100  0.14641100  0.79282100  1.0
  Cr  Cr2  1  0.50000000  0.50000000  0.50000000  1.0
  N  N3  1  0.36685700  0.36685700  0.23371400  1.0
  N  N4  1  0.63314300  0.63314300  0.76628600  1.0