data_ZnBMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   145.4
_cell_angle_beta   145.4
_cell_angle_gamma   49.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBMo
_chemical_formula_sum   'Zn1 B1 Mo1'
_cell_volume   43.21
_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  Zn2  1  0.0  0.0  0.97  1.0
  B  B0  1  0.0  0.0  0.71  1.0
  Mo  Mo1  1  0.0  0.0  0.62  1.0

data_ZnBMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   114.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnBMo
_chemical_formula_sum   'Zn2 B2 Mo2'
_cell_volume   86.41
_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  0.03  1.0
  B  B1  2  0.0  0.0  0.29  1.0
  Mo  Mo2  2  0.0  0.0  0.38  1.0

Zn B Mo
Zn B Mo 0 1 o o o 1 2 o o o 