data_Co2B4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   153.47
_cell_angle_beta   153.1
_cell_angle_gamma   38.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2B4Mo
_chemical_formula_sum   'Co2 B4 Mo1'
_cell_volume   57.61
_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
  Co  Co4  1  0.51  0.0  0.31  1.0
  Co  Co5  1  0.0  0.53  0.92  1.0
  B  B0  1  0.0  0.0  0.16  1.0
  B  B1  1  0.0  0.53  0.89  1.0
  B  B2  1  0.51  0.0  0.34  1.0
  B  B3  1  0.0  0.0  0.29  1.0
  Mo  Mo6  1  0.0  0.0  0.0  1.0

data_Co2B4Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.06
_cell_length_c   6.59
_cell_angle_alpha   103.45
_cell_angle_beta   103.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2B4Mo
_chemical_formula_sum   'Co2 B4 Mo1'
_cell_volume   57.61
_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
  Co  Co0  1  0.0  0.31  0.8  1.0
  Co  Co1  1  0.47  0.38  0.38  1.0
  B  B2  1  0.0  0.16  0.16  1.0
  B  B3  1  0.0  0.29  0.29  1.0
  B  B4  1  0.0  0.34  0.82  1.0
  B  B5  1  0.47  0.36  0.36  1.0
  Mo  Mo6  1  0.0  0.0  0.0  1.0

Co Co B B B B Mo
Co Co B B B B Mo 0 4 o o o 1 3 o o o 2 6 o o o 2 5 o o o 