data_YZn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.87
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Mo
_chemical_formula_sum   'Y1 Zn2 Mo1'
_cell_volume   72.6
_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  Y1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.53  0.94  0.78  1.0
  Zn  Zn3  1  0.53  0.94  0.34  1.0
  Mo  Mo0  1  0.0  0.0  0.06  1.0

data_YZn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.87
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Mo
_chemical_formula_sum   'Y1 Zn2 Mo1'
_cell_volume   72.6
_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
  Zn  Zn1  1  0.53  0.94  0.34  1.0
  Zn  Zn2  1  0.53  0.94  0.78  1.0
  Mo  Mo3  1  0.0  0.0  0.06  1.0

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