# generated using pymatgen
data_Ba2TaCrSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13384545
_cell_length_b   7.13384629
_cell_length_c   6.06782578
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaCrSe6
_chemical_formula_sum   'Ba2 Ta1 Cr1 Se6'
_cell_volume   267.43064710
_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  0.33333300  0.66666700  0.74749403  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.25250597  1.0
  Ta  Ta2  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr3  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se4  1  0.16674508  0.83325492  0.25470824  1.0
  Se  Se5  1  0.16674508  0.33349116  0.25470824  1.0
  Se  Se6  1  0.66650884  0.83325492  0.25470824  1.0
  Se  Se7  1  0.83325492  0.16674508  0.74529176  1.0
  Se  Se8  1  0.83325492  0.66650884  0.74529176  1.0
  Se  Se9  1  0.33349116  0.16674508  0.74529176  1.0