data_ZnB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   28.81
_cell_angle_beta   28.81
_cell_angle_gamma   28.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2Mo
_chemical_formula_sum   'Zn1 B2 Mo1'
_cell_volume   44.03
_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  0.0  0.0  0.6  1.0
  B  B0  1  0.0  0.0  0.36  1.0
  B  B1  1  0.0  0.0  0.96  1.0
  Mo  Mo2  1  0.0  0.0  0.08  1.0

data_ZnB2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   2.98
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnB2Mo
_chemical_formula_sum   'Zn2 B4 Mo2'
_cell_volume   88.06
_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
  Zn  Zn0  2  0.0  0.0  0.4  1.0
  B  B1  2  0.0  0.0  0.64  1.0
  B  B2  2  0.0  0.0  0.04  1.0
  Mo  Mo3  2  0.0  0.0  0.92  1.0

Zn B B Mo