data_Nb2ZnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.88
_cell_angle_alpha   99.68
_cell_angle_beta   99.68
_cell_angle_gamma   39.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnTe
_chemical_formula_sum   'Nb2 Zn1 Te1'
_cell_volume   75.51
_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
  Nb  Nb0  1  0.83  0.0  0.12  1.0
  Nb  Nb1  1  0.68  0.0  0.68  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.25  0.0  0.4  1.0

data_Nb2ZnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.88
_cell_length_c   4.98
_cell_angle_alpha   99.68
_cell_angle_beta   109.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnTe
_chemical_formula_sum   'Nb2 Zn1 Te1'
_cell_volume   75.51
_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
  Nb  Nb0  1  0.0  0.12  0.83  1.0
  Nb  Nb1  1  0.0  0.68  0.68  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.4  0.25  1.0

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