data_YTeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   25.45
_cell_angle_beta   25.45
_cell_angle_gamma   25.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTeSe2
_chemical_formula_sum   'Y1 Te1 Se2'
_cell_volume   112.61
_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  0.0  1.0
  Te  Te2  1  0.0  0.0  0.84  1.0
  Se  Se0  1  0.0  0.0  0.81  1.0
  Se  Se1  1  0.0  0.0  0.86  1.0

data_YTeSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.75
_cell_length_b   3.9
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   104.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTeSe2
_chemical_formula_sum   'Y2 Te2 Se4'
_cell_volume   225.22
_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  0.0  1.0
  Te  Te1  2  0.0  0.0  0.16  1.0
  Se  Se2  2  0.0  0.0  0.14  1.0
  Se  Se3  2  0.0  0.0  0.19  1.0

Y Te Se Se
Y Te Se Se 0 3 o o - 0 1 o o - 1 2 o o o 1 3 o o o 