data_Y2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.98
_cell_angle_alpha   111.17
_cell_angle_beta   111.17
_cell_angle_gamma   34.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BMo
_chemical_formula_sum   'Y2 B1 Mo1'
_cell_volume   79.18
_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  Y2  1  0.1  0.0  0.05  1.0
  Y  Y3  1  0.8  0.0  0.09  1.0
  B  B0  1  0.86  0.0  0.37  1.0
  Mo  Mo1  1  0.1  0.0  0.4  1.0

data_Y2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.98
_cell_length_c   5.48
_cell_angle_alpha   111.17
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BMo
_chemical_formula_sum   'Y2 B1 Mo1'
_cell_volume   79.18
_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  0.05  0.1  1.0
  Y  Y1  1  0.0  0.09  0.8  1.0
  B  B2  1  0.0  0.37  0.86  1.0
  Mo  Mo3  1  0.0  0.4  0.1  1.0

Y Y B Mo
Y Y B Mo 0 3 o o o 0 1 - o o 1 2 o o o 2 3 + o o 