# generated using pymatgen
data_BaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98782736
_cell_length_b   5.50106594
_cell_length_c   8.73199042
_cell_angle_alpha   79.48689443
_cell_angle_beta   73.40489491
_cell_angle_gamma   63.04112916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSe2
_chemical_formula_sum   'Ba2 Se4'
_cell_volume   204.26639960
_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  0.12802229  0.25000000  0.75000000  1.0
  Ba  Ba1  1  0.87197771  0.75000000  0.25000000  1.0
  Se  Se2  1  0.47303523  0.28736039  0.02502730  1.0
  Se  Se3  1  0.78542392  0.21263961  0.47497270  1.0
  Se  Se4  1  0.21457608  0.78736039  0.52502730  1.0
  Se  Se5  1  0.52696477  0.71263961  0.97497270  1.0