[CIF]
data_BaTiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21751113
_cell_length_b   5.21751113
_cell_length_c   5.21751113
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiSe2
_chemical_formula_sum   'Ba1 Ti1 Se2'
_cell_volume   100.43270372
_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
  Ba  Ba0  1  3.68933750  3.68933750  3.68933750  1
  Se  Se1  1  5.53400625  5.53400625  5.53400625  1
  Se  Se2  1  1.84466875  1.84466875  1.84466875  1
  Ti  Ti3  1  0.00000000  -0.00000000  0.00000000  1
[/CIF]
