data_Zn2ReTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.0
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReTe
_chemical_formula_sum   'Zn2 Re1 Te1'
_cell_volume   73.16
_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  0.43  0.0  0.97  1.0
  Zn  Zn3  1  0.43  0.0  0.41  1.0
  Re  Re0  1  0.0  0.0  0.19  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0

data_Zn2ReTe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.87
_cell_length_b   4.0
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zn2ReTe
_chemical_formula_sum   'Zn2 Re1 Te1'
_cell_volume   73.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.43  0.0  0.41  1.0
  Zn  Zn1  1  0.43  0.0  0.97  1.0
  Re  Re2  1  0.0  0.0  0.19  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

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