data_YZnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   4.0
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   93.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnTe2
_chemical_formula_sum   'Y1 Zn1 Te2'
_cell_volume   103.67
_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  Y2  1  0.8  0.0  0.28  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te0  1  0.81  0.0  0.67  1.0
  Te  Te1  1  0.73  0.0  0.89  1.0

data_YZnTe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.94
_cell_length_b   4.0
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   93.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YZnTe2
_chemical_formula_sum   'Y1 Zn1 Te2'
_cell_volume   103.67
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Y0  1  0.8  0.0  0.28  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.73  0.0  0.89  1.0
  Te  Te3  1  0.81  0.0  0.67  1.0

Y Zn Te Te
Y Zn Te Te 0 1 + o o 1 3 - o - 2 3 o o o 