# generated using pymatgen
data_Ba3YN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62159700
_cell_length_b   8.62163717
_cell_length_c   5.86001000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99982465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3YN3
_chemical_formula_sum   'Ba6 Y2 N6'
_cell_volume   377.23086276
_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  0.91288100  0.66007300  0.25000000  1.0
  Ba  Ba1  1  0.74719300  0.08712400  0.25000000  1.0
  Ba  Ba2  1  0.33991700  0.25279800  0.25000000  1.0
  Ba  Ba3  1  0.08711900  0.33992700  0.75000000  1.0
  Ba  Ba4  1  0.25280700  0.91287600  0.75000000  1.0
  Ba  Ba5  1  0.66008300  0.74720200  0.75000000  1.0
  Y  Y6  1  0.66666600  0.33333600  0.75000000  1.0
  Y  Y7  1  0.33333400  0.66666400  0.25000000  1.0
  N  N8  1  0.88123200  0.62080500  0.75000000  1.0
  N  N9  1  0.73957600  0.11876900  0.75000000  1.0
  N  N10  1  0.37918600  0.26041400  0.75000000  1.0
  N  N11  1  0.11876800  0.37919500  0.25000000  1.0
  N  N12  1  0.26042400  0.88123100  0.25000000  1.0
  N  N13  1  0.62081500  0.73958600  0.25000000  1.0