data_YTaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24
_cell_length_b   9.24
_cell_length_c   9.24
_cell_angle_alpha   22.71
_cell_angle_beta   22.71
_cell_angle_gamma   22.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaSe2
_chemical_formula_sum   'Y1 Ta1 Se2'
_cell_volume   103.28
_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
  Y  Y3  1  0.0  0.0  0.92  1.0
  Ta  Ta2  1  0.0  0.0  0.23  1.0
  Se  Se0  1  0.0  0.0  0.64  1.0
  Se  Se1  1  0.0  0.0  0.73  1.0

data_YTaSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.3
_cell_length_b   3.64
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   103.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTaSe2
_chemical_formula_sum   'Y2 Ta2 Se4'
_cell_volume   206.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  -0.0  0.0  0.08  1.0
  Ta  Ta1  2  -0.0  0.0  0.77  1.0
  Se  Se2  2  -0.0  0.0  0.27  1.0
  Se  Se3  2  -0.0  0.0  0.36  1.0

Y Ta Se Se