data_ZnRe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   2.72
_cell_angle_alpha   104.57
_cell_angle_beta   104.57
_cell_angle_gamma   112.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2B
_chemical_formula_sum   'Zn1 Re2 B1'
_cell_volume   53.03
_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  Zn3  1  0.71  0.0  0.0  1.0
  Re  Re1  1  0.74  0.01  0.22  1.0
  Re  Re2  1  0.74  0.99  0.22  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_ZnRe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.84
_cell_length_c   4.85
_cell_angle_alpha   118.83
_cell_angle_beta   104.57
_cell_angle_gamma   93.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2B
_chemical_formula_sum   'Zn1 Re2 B1'
_cell_volume   53.03
_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  Zn0  1  0.0  0.0  0.71  1.0
  Re  Re1  1  0.2  0.99  0.72  1.0
  Re  Re2  1  0.23  0.01  0.75  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Zn Re Re B