data_Zn2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.01
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SbTe
_chemical_formula_sum   'Zn2 Sb1 Te1'
_cell_volume   94.71
_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
  Zn  Zn2  1  0.18  0.01  0.65  1.0
  Zn  Zn3  1  0.82  0.01  0.82  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.5  0.0  0.74  1.0

data_Zn2SbTe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   4.01
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zn2SbTe
_chemical_formula_sum   'Zn2 Sb1 Te1'
_cell_volume   94.71
_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
  Zn  Zn0  1  0.18  0.0  0.65  1.0
  Zn  Zn1  1  0.82  0.0  0.82  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.5  0.0  0.74  1.0

Zn Zn Sb Te
Zn Zn Sb Te 0 3 o o o 1 3 o o o 1 2 + o + 