data_YAlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   145.39
_cell_angle_beta   141.34
_cell_angle_gamma   52.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlMo
_chemical_formula_sum   'Y1 Al1 Mo1'
_cell_volume   61.04
_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  0.0  0.0  0.28  1.0
  Al  Al0  1  0.0  0.0  0.33  1.0
  Mo  Mo1  1  0.0  0.0  0.37  1.0

data_YAlMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.69
_cell_length_c   5.57
_cell_angle_alpha   109.33
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlMo
_chemical_formula_sum   'Y1 Al1 Mo1'
_cell_volume   61.04
_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  0.72  0.72  0.72  1.0
  Al  Al1  1  0.67  0.67  0.67  1.0
  Mo  Mo2  1  0.63  0.63  0.63  1.0

Y Al Mo
Y Al Mo 0 1 o o o 1 2 o o o 