data_Zr2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.52
_cell_angle_alpha   98.13
_cell_angle_beta   98.13
_cell_angle_gamma   38.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnCr
_chemical_formula_sum   'Zr2 Zn1 Cr1'
_cell_volume   74.4
_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  0.47  0.0  0.32  1.0
  Zr  Zr3  1  0.54  0.0  0.14  1.0
  Zn  Zn1  1  0.01  0.0  0.73  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Zr2ZnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.68
_cell_length_c   5.52
_cell_angle_alpha   98.13
_cell_angle_beta   90.0
_cell_angle_gamma   109.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ZnCr
_chemical_formula_sum   'Zr2 Zn1 Cr1'
_cell_volume   74.4
_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  0.46  0.86  1.0
  Zr  Zr1  1  0.0  0.53  0.68  1.0
  Zn  Zn2  1  0.0  0.99  0.27  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

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