data_YBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBi2Mo
_chemical_formula_sum   'Y1 Bi2 Mo1'
_cell_volume   96.62
_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
  Bi  Bi0  1  0.77  0.77  0.21  1.0
  Bi  Bi1  1  0.77  0.77  0.54  1.0
  Mo  Mo2  1  0.0  0.0  0.87  1.0

data_YBi2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBi2Mo
_chemical_formula_sum   'Y2 Bi4 Mo2'
_cell_volume   193.23
_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
  Bi  Bi1  2  0.27  0.5  0.21  1.0
  Bi  Bi2  2  0.27  0.5  0.54  1.0
  Mo  Mo3  2  0.0  0.0  0.87  1.0

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