data_YInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInMo2
_chemical_formula_sum   'Y1 In1 Mo2'
_cell_volume   79.26
_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  0.97  0.0  0.0  1.0
  Mo  Mo1  1  0.49  0.7  0.45  1.0
  Mo  Mo2  1  0.49  0.3  0.45  1.0

data_YInMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   114.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInMo2
_chemical_formula_sum   'Y1 In1 Mo2'
_cell_volume   79.26
_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  0.97  0.0  1.0
  Mo  Mo2  1  0.45  0.49  0.3  1.0
  Mo  Mo3  1  0.45  0.49  0.7  1.0

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