# generated using pymatgen
data_BaV(NiSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63598978
_cell_length_b   9.63599021
_cell_length_c   7.32700677
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.16922596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV(NiSe2)2
_chemical_formula_sum   'Ba2 V2 Ni4 Se8'
_cell_volume   368.84714995
_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  0.16697394  0.81309776  0.75000000  1.0
  Ba  Ba1  1  0.81309776  0.16697394  0.25000000  1.0
  V  V2  1  0.63809944  0.85563216  0.75000000  1.0
  V  V3  1  0.85563216  0.63809944  0.25000000  1.0
  Ni  Ni4  1  0.74178866  0.74178866  0.50000000  1.0
  Ni  Ni5  1  0.74178866  0.74178866  0.00000000  1.0
  Ni  Ni6  1  0.35867915  0.13520411  0.25000000  1.0
  Ni  Ni7  1  0.13520411  0.35867915  0.75000000  1.0
  Se  Se8  1  0.60514026  0.39478317  0.99268127  1.0
  Se  Se9  1  0.39478317  0.60514126  0.49268127  1.0
  Se  Se10  1  0.99789980  0.01310742  0.75000000  1.0
  Se  Se11  1  0.39478317  0.60514126  0.00731873  1.0
  Se  Se12  1  0.20485354  0.77638448  0.25000000  1.0
  Se  Se13  1  0.77638448  0.20485354  0.75000000  1.0
  Se  Se14  1  0.01310742  0.99789980  0.25000000  1.0
  Se  Se15  1  0.60514026  0.39478317  0.50731873  1.0