# generated using pymatgen
data_Ti4CrSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11544388
_cell_length_b   7.11544394
_cell_length_c   8.65768854
_cell_angle_alpha   52.88057917
_cell_angle_beta   52.88057976
_cell_angle_gamma   60.69063027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4CrSe8
_chemical_formula_sum   'Ti4 Cr1 Se8'
_cell_volume   273.23047612
_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
  Ti  Ti0  1  0.25801834  0.25801834  0.99225570  1.0
  Ti  Ti1  1  0.74198166  0.74198166  0.00774430  1.0
  Ti  Ti2  1  0.26358413  0.73641587  0.50000000  1.0
  Ti  Ti3  1  0.73641587  0.26358413  0.50000000  1.0
  Cr  Cr4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.96568458  0.96568458  0.33027512  1.0
  Se  Se6  1  0.03431542  0.03431542  0.66972488  1.0
  Se  Se7  1  0.45690576  0.45690576  0.33147667  1.0
  Se  Se8  1  0.54309424  0.54309424  0.66852333  1.0
  Se  Se9  1  0.03985788  0.54121786  0.17027478  1.0
  Se  Se10  1  0.54121786  0.03985788  0.17027478  1.0
  Se  Se11  1  0.96014212  0.45878214  0.82972522  1.0
  Se  Se12  1  0.45878214  0.96014212  0.82972522  1.0