data_YBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.85
_cell_angle_alpha   116.16
_cell_angle_beta   116.16
_cell_angle_gamma   32.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBMo2
_chemical_formula_sum   'Y1 B1 Mo2'
_cell_volume   65.27
_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  0.98  0.0  0.15  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.53  0.0  0.75  1.0
  Mo  Mo2  1  0.44  0.0  0.56  1.0

data_YBMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.85
_cell_length_c   5.31
_cell_angle_alpha   116.16
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBMo2
_chemical_formula_sum   'Y1 B1 Mo2'
_cell_volume   65.27
_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  0.15  0.98  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.56  0.44  1.0
  Mo  Mo3  1  0.0  0.75  0.53  1.0

Y B Mo Mo