data_Y2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   39.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiMo
_chemical_formula_sum   'Y2 Si1 Mo1'
_cell_volume   92.78
_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  0.87  1.0
  Y  Y3  1  0.0  0.0  0.65  1.0
  Si  Si1  1  0.0  0.0  0.43  1.0
  Mo  Mo0  1  0.1  0.0  0.09  1.0

data_Y2SiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.2
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   109.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiMo
_chemical_formula_sum   'Y2 Si1 Mo1'
_cell_volume   92.78
_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  0.13  0.1  0.13  1.0
  Y  Y1  1  0.35  0.0  0.35  1.0
  Si  Si2  1  0.57  0.0  0.57  1.0
  Mo  Mo3  1  0.91  0.1  0.91  1.0

Y Y Si Mo