data_Zn2TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   142.22
_cell_angle_beta   142.22
_cell_angle_gamma   54.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TePb
_chemical_formula_sum   'Zn2 Te1 Pb1'
_cell_volume   99.14
_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  0.0  0.08  0.86  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.72  1.0
  Pb  Pb0  1  0.08  0.0  0.86  1.0

data_Zn2TePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.43
_cell_angle_alpha   108.89
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TePb
_chemical_formula_sum   'Zn2 Te1 Pb1'
_cell_volume   99.14
_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  Zn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.78  0.86  0.78  1.0
  Te  Te2  1  0.72  0.72  0.72  1.0
  Pb  Pb3  1  0.86  0.78  0.78  1.0

Zn Zn Te Pb