# generated using pymatgen
data_Ti2CrSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99078151
_cell_length_b   6.99078151
_cell_length_c   6.39531481
_cell_angle_alpha   64.90630906
_cell_angle_beta   64.90630906
_cell_angle_gamma   29.68913465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrSe4
_chemical_formula_sum   'Ti2 Cr1 Se4'
_cell_volume   139.10696931
_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  0.74430000  0.74430000  0.29197333  1.0
  Ti  Ti1  1  0.25570000  0.25570000  0.70802667  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.88513657  0.88513657  0.45194479  1.0
  Se  Se4  1  0.11486343  0.11486343  0.54805521  1.0
  Se  Se5  1  0.63396101  0.63396101  0.02595900  1.0
  Se  Se6  1  0.36603899  0.36603899  0.97404100  1.0