data_Zn2FeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   137.61
_cell_angle_beta   137.61
_cell_angle_gamma   61.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeTe
_chemical_formula_sum   'Zn2 Fe1 Te1'
_cell_volume   67.35
_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  0.92  0.28  1.0
  Zn  Zn3  1  0.92  0.0  0.28  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.56  1.0

data_Zn2FeTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   120.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2FeTe
_chemical_formula_sum   'Zn4 Fe2 Te2'
_cell_volume   134.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.04  0.04  0.36  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.56  1.0

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