data_Zn2InSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   133.13
_cell_angle_beta   120.53
_cell_angle_gamma   78.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2InSb
_chemical_formula_sum   'Zn2 In1 Sb1'
_cell_volume   88.85
_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  Zn2  1  0.09  0.0  0.03  1.0
  Zn  Zn3  1  0.0  0.61  0.03  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.06  1.0

data_Zn2InSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   5.22
_cell_length_c   5.26
_cell_angle_alpha   119.73
_cell_angle_beta   113.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2InSb
_chemical_formula_sum   'Zn2 In1 Sb1'
_cell_volume   88.85
_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  0.06  0.97  0.06  1.0
  Zn  Zn1  1  0.97  0.58  0.58  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.94  0.94  0.94  1.0

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