data_YIn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.69
_cell_angle_alpha   99.98
_cell_angle_beta   99.98
_cell_angle_gamma   35.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Mo
_chemical_formula_sum   'Y1 In2 Mo1'
_cell_volume   89.99
_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
  In  In0  1  0.66  0.0  0.03  1.0
  In  In1  1  0.35  0.0  0.57  1.0
  Mo  Mo2  1  0.51  0.0  0.8  1.0

data_YIn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.27
_cell_length_c   5.69
_cell_angle_alpha   99.98
_cell_angle_beta   90.0
_cell_angle_gamma   107.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIn2Mo
_chemical_formula_sum   'Y1 In2 Mo1'
_cell_volume   89.99
_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
  In  In1  1  0.0  0.34  0.97  1.0
  In  In2  1  0.0  0.65  0.43  1.0
  Mo  Mo3  1  0.0  0.49  0.2  1.0

Y In In Mo
Y In In Mo 0 1 - o o 1 3 o o - 2 3 o o o 