data_YInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99
_cell_length_b   9.99
_cell_length_c   9.99
_cell_angle_alpha   17.74
_cell_angle_beta   17.74
_cell_angle_gamma   17.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInMo2
_chemical_formula_sum   'Y1 In1 Mo2'
_cell_volume   80.74
_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  0.0  0.0  0.74  1.0
  Mo  Mo1  1  0.0  0.0  0.25  1.0
  Mo  Mo2  1  0.0  0.0  0.24  1.0

data_YInMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   100.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YInMo2
_chemical_formula_sum   'Y2 In2 Mo4'
_cell_volume   161.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  2  -0.0  0.0  0.26  1.0
  Mo  Mo2  2  0.0  0.0  0.75  1.0
  Mo  Mo3  2  0.0  0.0  0.76  1.0

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