data_Zn2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.8
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   106.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeP
_chemical_formula_sum   'Zn2 Te1 P1'
_cell_volume   79.04
_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  0.78  0.9  0.13  1.0
  Zn  Zn3  1  0.66  0.9  0.12  1.0
  Te  Te1  1  0.22  0.0  0.63  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Zn2TeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.97
_cell_length_c   5.47
_cell_angle_alpha   106.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeP
_chemical_formula_sum   'Zn2 Te1 P1'
_cell_volume   79.04
_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  0.1  0.22  0.87  1.0
  Zn  Zn1  1  0.1  0.34  0.88  1.0
  Te  Te2  1  0.0  0.78  0.37  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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