# generated using pymatgen
data_Ti2CoSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.20535266
_cell_length_b   3.58842112
_cell_length_c   6.14362440
_cell_angle_alpha   90.00000000
_cell_angle_beta   117.38859721
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoSe4
_chemical_formula_sum   'Ti4 Co2 Se8'
_cell_volume   258.49105692
_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  0.74781500  0.00000000  0.73527300  1
  Ti  Ti1  1  0.75218500  0.50000000  0.26472700  1
  Ti  Ti2  1  0.24781500  0.50000000  0.73527300  1
  Ti  Ti3  1  0.25218500  0.00000000  0.26472700  1
  Co  Co4  1  0.00000000  0.00000000  0.00000000  1
  Co  Co5  1  0.50000000  0.50000000  0.00000000  1
  Se  Se6  1  0.88607000  0.00000000  0.55049700  1
  Se  Se7  1  0.61393000  0.50000000  0.44950300  1
  Se  Se8  1  0.61938300  0.00000000  0.95467800  1
  Se  Se9  1  0.88061700  0.50000000  0.04532200  1
  Se  Se10  1  0.38607000  0.50000000  0.55049700  1
  Se  Se11  1  0.11393000  0.00000000  0.44950300  1
  Se  Se12  1  0.11938300  0.50000000  0.95467800  1
  Se  Se13  1  0.38061700  0.00000000  0.04532200  1
