data_ZrRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   131.39
_cell_angle_beta   131.39
_cell_angle_gamma   71.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRe2Sn
_chemical_formula_sum   'Zr1 Re2 Sn1'
_cell_volume   71.87
_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  Zr3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.09  0.0  0.06  1.0
  Re  Re1  1  0.0  0.09  0.06  1.0
  Sn  Sn2  1  0.0  0.0  0.12  1.0

data_ZrRe2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   125.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrRe2Sn
_chemical_formula_sum   'Zr2 Re4 Sn2'
_cell_volume   143.73
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Re  Re1  4  0.46  0.54  0.97  1.0
  Sn  Sn2  2  0.0  0.0  0.12  1.0

Zr Re Re Sn