data_Zr2ReTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   37.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReTe
_chemical_formula_sum   'Zr2 Re1 Te1'
_cell_volume   84.02
_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  0.23  0.0  0.53  1.0
  Zr  Zr3  1  0.0  0.0  0.39  1.0
  Re  Re0  1  0.23  0.0  0.58  1.0
  Te  Te1  1  0.0  0.0  0.46  1.0

data_Zr2ReTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.47
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   108.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ReTe
_chemical_formula_sum   'Zr2 Re1 Te1'
_cell_volume   84.02
_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  0.47  0.23  0.47  1.0
  Zr  Zr1  1  0.61  0.0  0.61  1.0
  Re  Re2  1  0.42  0.23  0.42  1.0
  Te  Te3  1  0.54  0.0  0.54  1.0

Zr Zr Re Te