data_ZnTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   6.89
_cell_angle_alpha   92.0
_cell_angle_beta   92.0
_cell_angle_gamma   56.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeAs2
_chemical_formula_sum   'Zn1 Te1 As2'
_cell_volume   101.79
_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  Zn3  1  0.28  0.0  0.86  1.0
  Te  Te2  1  0.67  0.0  0.82  1.0
  As  As0  1  0.46  0.0  0.22  1.0
  As  As1  1  0.26  0.0  0.41  1.0

data_ZnTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.2
_cell_length_c   6.89
_cell_angle_alpha   92.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeAs2
_chemical_formula_sum   'Zn1 Te1 As2'
_cell_volume   101.79
_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  0.72  0.14  1.0
  Te  Te1  1  0.0  0.33  0.18  1.0
  As  As2  1  0.0  0.54  0.78  1.0
  As  As3  1  0.0  0.74  0.59  1.0

Zn Te As As
Zn Te As As 0 1 o o o 2 3 o o o 