# generated using pymatgen
data_Ba4(NbSe4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40720651
_cell_length_b   9.40720651
_cell_length_c   12.12359455
_cell_angle_alpha   50.10462951
_cell_angle_beta   50.10462951
_cell_angle_gamma   43.66054074
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4(NbSe4)3
_chemical_formula_sum   'Ba4 Nb3 Se12'
_cell_volume   535.46624864
_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  0.33417400  0.33417400  0.79054700  1.0
  Ba  Ba1  1  0.33153000  0.33153000  0.29928000  1.0
  Ba  Ba2  1  0.66847000  0.66847000  0.70072000  1.0
  Ba  Ba3  1  0.66582600  0.66582600  0.20945300  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb5  1  0.99939900  0.99939900  0.71977900  1.0
  Nb  Nb6  1  0.00060100  0.00060100  0.28022100  1.0
  Se  Se7  1  0.16562300  0.16562300  0.70714400  1.0
  Se  Se8  1  0.17527800  0.17527800  0.19635100  1.0
  Se  Se9  1  0.17787800  0.64738000  0.46349800  1.0
  Se  Se10  1  0.17575000  0.65836600  0.95526500  1.0
  Se  Se11  1  0.64738000  0.17787800  0.46349800  1.0
  Se  Se12  1  0.65836600  0.17575000  0.95526500  1.0
  Se  Se13  1  0.82472200  0.82472200  0.80364900  1.0
  Se  Se14  1  0.83437700  0.83437700  0.29285600  1.0
  Se  Se15  1  0.82425000  0.34163400  0.04473500  1.0
  Se  Se16  1  0.82212200  0.35262000  0.53650200  1.0
  Se  Se17  1  0.34163400  0.82425000  0.04473500  1.0
  Se  Se18  1  0.35262000  0.82212200  0.53650200  1.0