data_ZnCr2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   144.84
_cell_angle_beta   127.52
_cell_angle_gamma   64.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2In
_chemical_formula_sum   'Zn1 Cr2 In1'
_cell_volume   60.09
_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
  Zn  Zn3  1  0.0  0.0  0.03  1.0
  Cr  Cr0  1  0.0  0.26  0.06  1.0
  Cr  Cr1  1  0.0  0.0  0.77  1.0
  In  In2  1  0.0  0.26  0.08  1.0

data_ZnCr2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.52
_cell_length_c   5.11
_cell_angle_alpha   116.24
_cell_angle_beta   107.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2In
_chemical_formula_sum   'Zn1 Cr2 In1'
_cell_volume   60.09
_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
  Zn  Zn0  1  0.0  0.03  0.03  1.0
  Cr  Cr1  1  0.0  0.77  0.77  1.0
  Cr  Cr2  1  0.74  0.81  0.81  1.0
  In  In3  1  0.74  0.82  0.82  1.0

Zn Cr Cr In
Zn Cr Cr In 0 3 o o o 0 1 o o o 0 2 o o - 1 3 o o o 1 2 o o - 2 3 o o + 