data_Zr2ZnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnMo
_chemical_formula_sum   'Zr2 Zn1 Mo1'
_cell_volume   76.57
_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
  Zr  Zr2  1  0.76  0.0  0.31  1.0
  Zr  Zr3  1  0.76  0.0  0.61  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.46  1.0

data_Zr2ZnMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnMo
_chemical_formula_sum   'Zr2 Zn1 Mo1'
_cell_volume   76.57
_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
  Zr  Zr0  1  0.76  0.0  0.31  1.0
  Zr  Zr1  1  0.76  0.0  0.61  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.46  1.0

Zr Zr Zn Mo
Zr Zr Zn Mo 0 3 + o o 0 2 + o o 1 3 + o o 1 2 + o + 2 2 + + o 2 2 o + o 2 2 + o o 