data_YMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.42
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   101.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMo3
_chemical_formula_sum   'Y1 Mo3'
_cell_volume   74.22
_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  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.84  0.21  0.65  1.0
  Mo  Mo1  1  0.98  0.21  0.06  1.0
  Mo  Mo2  1  0.91  0.0  0.85  1.0

data_YMo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.42
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   101.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMo3
_chemical_formula_sum   'Y1 Mo3'
_cell_volume   74.22
_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  0.0  1.0
  Mo  Mo1  1  0.84  0.21  0.65  1.0
  Mo  Mo2  1  0.91  0.0  0.85  1.0
  Mo  Mo3  1  0.98  0.21  0.06  1.0

Y Mo Mo Mo