# generated using pymatgen
data_LiZrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74321519
_cell_length_b   3.74313483
_cell_length_c   6.64109852
_cell_angle_alpha   89.99924409
_cell_angle_beta   90.00693684
_cell_angle_gamma   119.99868101
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrSe2
_chemical_formula_sum   'Li1 Zr1 Se2'
_cell_volume   80.58544136
_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
  Li  Li0  1  -0.00000001  -0.00000001  0.50000000  1.0
  Zr  Zr1  1  0.00000001  0.00000001  -0.00000000  1.0
  Se  Se2  1  0.66654374  0.33327442  0.74834971  1.0
  Se  Se3  1  0.33345625  0.66672557  0.25165029  1.0