[CIF]
data_Ti2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66403899
_cell_length_b   5.06972703
_cell_length_c   5.06972703
_cell_angle_alpha   38.95954755
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoSe
_chemical_formula_sum   'Ti2 Co1 Se1'
_cell_volume   59.21368917
_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
  Co  Co0  1  0.00000000  -0.00000000  5.15147335  1
  Se  Se1  1  1.83201949  0.00000000  6.70670864  1
  Ti  Ti2  1  1.83201949  -0.00000000  9.32888282  1
  Ti  Ti3  1  0.00000000  0.00000000  2.71059600  1
[/CIF]
