data_Zr2VZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.0
_cell_angle_alpha   108.09
_cell_angle_beta   108.09
_cell_angle_gamma   32.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VZn
_chemical_formula_sum   'Zr2 V1 Zn1'
_cell_volume   74.53
_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  0.09  0.0  0.2  1.0
  Zr  Zr3  1  0.27  0.0  0.37  1.0
  V  V0  1  0.23  0.0  0.4  1.0
  Zn  Zn1  1  0.69  0.0  0.12  1.0

data_Zr2VZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   5.0
_cell_length_c   5.45
_cell_angle_alpha   108.09
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VZn
_chemical_formula_sum   'Zr2 V1 Zn1'
_cell_volume   74.53
_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  0.0  0.2  0.09  1.0
  Zr  Zr1  1  0.0  0.37  0.27  1.0
  V  V2  1  0.0  0.4  0.23  1.0
  Zn  Zn3  1  0.0  0.12  0.69  1.0

Zr Zr V Zn
Zr Zr V Zn 0 2 o o o 0 1 o o o 0 3 - o o 1 2 o o o 