# generated using pymatgen
data_BaNiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94274651
_cell_length_b   6.94274651
_cell_length_c   5.49049700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000489
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiCl3
_chemical_formula_sum   'Ba2 Ni2 Cl6'
_cell_volume   229.19486690
_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  0.66666700  0.33333300  0.74814800  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.24814800  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.48861800  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.98861800  1.0
  Cl  Cl4  1  0.82787800  0.17212200  0.23857900  1.0
  Cl  Cl5  1  0.65575600  0.82787800  0.73857900  1.0
  Cl  Cl6  1  0.17212200  0.34424400  0.73857900  1.0
  Cl  Cl7  1  0.82787800  0.65575600  0.23857900  1.0
  Cl  Cl8  1  0.17212200  0.82787800  0.73857900  1.0
  Cl  Cl9  1  0.34424400  0.17212200  0.23857900  1.0