data_Zn2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.5
_cell_angle_alpha   105.15
_cell_angle_beta   105.15
_cell_angle_gamma   56.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeP
_chemical_formula_sum   'Zn2 Te1 P1'
_cell_volume   78.41
_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  0.29  0.0  0.98  1.0
  Zn  Zn3  1  0.62  0.0  0.23  1.0
  Te  Te1  1  0.45  0.0  0.1  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   3.69
_cell_length_b   3.89
_cell_length_c   6.5
_cell_angle_alpha   105.15
_cell_angle_beta   90.0
_cell_angle_gamma   118.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2TeP
_chemical_formula_sum   'Zn2 Te1 P1'
_cell_volume   78.41
_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  0.38  0.77  1.0
  Zn  Zn1  1  0.0  0.71  0.02  1.0
  Te  Te2  1  0.0  0.55  0.9  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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