data_ReB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   149.24
_cell_angle_beta   148.84
_cell_angle_gamma   44.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB2Mo
_chemical_formula_sum   'Re1 B2 Mo1'
_cell_volume   44.43
_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
  Re  Re3  1  0.0  0.48  1.0  1.0
  B  B0  1  0.0  0.0  0.75  1.0
  B  B1  1  0.46  0.0  0.17  1.0
  Mo  Mo2  1  0.0  0.0  0.54  1.0

data_ReB2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.97
_cell_length_c   5.52
_cell_angle_alpha   105.58
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReB2Mo
_chemical_formula_sum   'Re1 B2 Mo1'
_cell_volume   44.43
_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
  Re  Re0  1  0.0  0.48  0.48  1.0
  B  B1  1  0.25  0.25  0.25  1.0
  B  B2  1  0.29  0.83  0.29  1.0
  Mo  Mo3  1  0.46  0.46  0.46  1.0

Re B B Mo