data_Zr2InSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   5.15
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InSb
_chemical_formula_sum   'Zr2 In1 Sb1'
_cell_volume   92.13
_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  0.94  0.0  0.98  1.0
  Zr  Zr3  1  0.13  0.58  0.95  1.0
  In  In0  1  0.58  0.0  0.27  1.0
  Sb  Sb1  1  0.3  0.58  0.57  1.0

data_Zr2InSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.15
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InSb
_chemical_formula_sum   'Zr2 In1 Sb1'
_cell_volume   92.13
_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  0.13  0.58  0.95  1.0
  Zr  Zr1  1  0.94  0.0  0.98  1.0
  In  In2  1  0.58  0.0  0.27  1.0
  Sb  Sb3  1  0.3  0.58  0.57  1.0

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