data_Zr2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.68
_cell_angle_alpha   107.55
_cell_angle_beta   107.55
_cell_angle_gamma   37.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BMo
_chemical_formula_sum   'Zr2 B1 Mo1'
_cell_volume   67.65
_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
  Zr  Zr2  1  0.55  0.0  0.44  1.0
  Zr  Zr3  1  0.94  0.0  0.9  1.0
  B  B0  1  0.68  0.0  0.42  1.0
  Mo  Mo1  1  0.4  0.0  0.34  1.0

data_Zr2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.68
_cell_length_c   5.03
_cell_angle_alpha   107.55
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BMo
_chemical_formula_sum   'Zr2 B1 Mo1'
_cell_volume   67.65
_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
  Zr  Zr0  1  0.0  0.44  0.55  1.0
  Zr  Zr1  1  0.0  0.9  0.94  1.0
  B  B2  1  0.0  0.42  0.68  1.0
  Mo  Mo3  1  0.0  0.34  0.4  1.0

Zr Zr B Mo