# generated using pymatgen
data_Ba(ZrSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57626507
_cell_length_b   6.57626535
_cell_length_c   8.21761744
_cell_angle_alpha   97.69027741
_cell_angle_beta   97.69028169
_cell_angle_gamma   120.02282358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(ZrSe2)3
_chemical_formula_sum   'Ba1 Zr3 Se6'
_cell_volume   296.47252845
_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  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr1  1  0.83408740  0.16591360  0.00000000  1.0
  Zr  Zr2  1  0.50000100  0.50000100  0.00000000  1.0
  Zr  Zr3  1  0.16591360  0.83408740  0.00000000  1.0
  Se  Se4  1  0.23998156  0.23998156  0.20356568  1.0
  Se  Se5  1  0.90135278  0.56294643  0.20330351  1.0
  Se  Se6  1  0.56294643  0.90135278  0.20330351  1.0
  Se  Se7  1  0.43705257  0.09864722  0.79669549  1.0
  Se  Se8  1  0.09864722  0.43705257  0.79669549  1.0
  Se  Se9  1  0.76001944  0.76001944  0.79643332  1.0