data_Zr2ReTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   138.36
_cell_angle_beta   138.36
_cell_angle_gamma   60.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReTe
_chemical_formula_sum   'Zr2 Re1 Te1'
_cell_volume   80.6
_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
  Zr  Zr2  1  0.0  0.02  0.46  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.02  0.0  0.46  1.0
  Te  Te1  1  0.0  0.0  0.92  1.0

data_Zr2ReTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.69
_cell_angle_alpha   110.82
_cell_angle_beta   110.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReTe
_chemical_formula_sum   'Zr2 Re1 Te1'
_cell_volume   80.6
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.56  0.02  0.56  1.0
  Re  Re2  1  0.54  0.0  0.56  1.0
  Te  Te3  1  0.08  0.0  0.08  1.0

Zr Zr Re Te
Zr Zr Re Te 0 2 o o o 1 3 o o - 