data_YBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   3.22
_cell_angle_alpha   106.47
_cell_angle_beta   106.47
_cell_angle_gamma   122.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBMo2
_chemical_formula_sum   'Y1 B1 Mo2'
_cell_volume   66.99
_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
  Y  Y3  1  0.66  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.38  0.41  0.31  1.0
  Mo  Mo2  1  0.38  0.59  0.31  1.0

data_YBMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.31
_cell_length_c   5.5
_cell_angle_alpha   112.62
_cell_angle_beta   106.47
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBMo2
_chemical_formula_sum   'Y1 B1 Mo2'
_cell_volume   66.99
_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
  Y  Y0  1  0.0  0.0  0.66  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.72  0.41  0.79  1.0
  Mo  Mo3  1  0.9  0.59  0.98  1.0

Y B Mo Mo