data_ZnIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   127.75
_cell_angle_beta   127.75
_cell_angle_gamma   77.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Sb
_chemical_formula_sum   'Zn1 In2 Sb1'
_cell_volume   101.15
_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  0.0  1.0
  In  In0  1  0.42  0.0  0.15  1.0
  In  In1  1  0.0  0.0  0.31  1.0
  Sb  Sb2  1  0.0  0.42  0.15  1.0

data_ZnIn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.5
_cell_angle_alpha   116.13
_cell_angle_beta   116.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2Sb
_chemical_formula_sum   'Zn1 In2 Sb1'
_cell_volume   101.15
_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  0.0  0.0  1.0
  In  In1  1  0.69  0.0  0.69  1.0
  In  In2  1  0.85  0.0  0.27  1.0
  Sb  Sb3  1  0.27  0.42  0.27  1.0

Zn In In Sb