# generated using pymatgen
data_Ti6GeC2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51734558
_cell_length_b   5.51734556
_cell_length_c   8.14016951
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.04771252
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6GeC2Se
_chemical_formula_sum   'Ti6 Ge1 C2 Se1'
_cell_volume   138.39449509
_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  0.87214272  0.12785528  0.05371571  1.0
  Ti  Ti1  1  0.55545471  0.44454329  0.25000000  1.0
  Ti  Ti2  1  0.87214272  0.12785528  0.44628429  1.0
  Ti  Ti3  1  0.12678842  0.87320958  0.55191902  1.0
  Ti  Ti4  1  0.45027847  0.54971953  0.75000000  1.0
  Ti  Ti5  1  0.12678842  0.87320958  0.94808098  1.0
  Ge  Ge6  1  0.75398952  0.24600848  0.75000000  1.0
  C  C7  1  0.49913697  0.50086103  0.00252455  1.0
  C  C8  1  0.49913697  0.50086103  0.49747545  1.0
  Se  Se9  1  0.24412907  0.75586893  0.25000000  1.0