# generated using pymatgen
data_Ti2FeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.53109569
_cell_length_b   3.56723588
_cell_length_c   6.26349668
_cell_angle_alpha   90.00000000
_cell_angle_beta   117.46620580
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeSe4
_chemical_formula_sum   'Ti4 Fe2 Se8'
_cell_volume   268.25252502
_cell_formula_units_Z   2
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  0.75029200  0.50000000  0.27129700  1
  Ti  Ti1  1  0.74970800  0.00000000  0.72870300  1
  Ti  Ti2  1  0.25029200  0.00000000  0.27129700  1
  Ti  Ti3  1  0.24970800  0.50000000  0.72870300  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  -0.00000000  1
  Se  Se6  1  0.87452900  0.50000000  0.04318500  1
  Se  Se7  1  0.62547100  0.00000000  0.95681500  1
  Se  Se8  1  0.61583000  0.50000000  0.45164400  1
  Se  Se9  1  0.88417000  0.00000000  0.54835600  1
  Se  Se10  1  0.37452900  0.00000000  0.04318500  1
  Se  Se11  1  0.12547100  0.50000000  0.95681500  1
  Se  Se12  1  0.11583000  0.00000000  0.45164400  1
  Se  Se13  1  0.38417000  0.50000000  0.54835600  1
