data_ReBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   7.14
_cell_angle_alpha   24.28
_cell_angle_beta   24.28
_cell_angle_gamma   24.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBMo2
_chemical_formula_sum   'Re1 B1 Mo2'
_cell_volume   54.05
_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  0.0  0.39  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.13  1.0
  Mo  Mo2  1  0.0  0.0  0.64  1.0

data_ReBMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   104.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReBMo2
_chemical_formula_sum   'Re2 B2 Mo4'
_cell_volume   108.1
_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
  Re  Re0  2  0.0  0.0  0.61  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.36  1.0
  Mo  Mo3  2  0.0  0.0  0.87  1.0

Re B Mo Mo
Re B Mo Mo 0 2 o o o 0 3 o o o 1 2 o o o 