# generated using pymatgen
data_TaReSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45393882
_cell_length_b   3.45393882
_cell_length_c   12.92201200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReSe4
_chemical_formula_sum   'Ta1 Re1 Se4'
_cell_volume   133.50268013
_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
  Ta  Ta0  1  0.33333300  0.66666700  0.00000000  1.0
  Re  Re1  1  0.66666700  0.33333300  0.50000000  1.0
  Se  Se2  1  0.66666700  0.33333300  0.13016900  1.0
  Se  Se3  1  0.33333300  0.66666700  0.37823200  1.0
  Se  Se4  1  0.33333300  0.66666700  0.62176800  1.0
  Se  Se5  1  0.66666700  0.33333300  0.86983100  1.0