data_NaInSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   143.73
_cell_angle_beta   132.08
_cell_angle_gamma   61.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInSb2
_chemical_formula_sum   'Na1 In1 Sb2'
_cell_volume   116.33
_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
  Na  Na1  1  0.0  0.0  0.37  1.0
  In  In0  1  0.01  0.0  0.43  1.0
  Sb  Sb2  1  0.01  0.0  0.32  1.0
  Sb  Sb3  1  0.0  0.0  0.49  1.0

data_NaInSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   5.24
_cell_length_c   6.45
_cell_angle_alpha   113.96
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInSb2
_chemical_formula_sum   'Na1 In1 Sb2'
_cell_volume   116.33
_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
  Na  Na0  1  0.63  0.63  0.63  1.0
  In  In1  1  0.57  0.57  0.57  1.0
  Sb  Sb2  1  0.51  0.51  0.51  1.0
  Sb  Sb3  1  0.69  0.68  0.69  1.0

Na In Sb Sb
Na In Sb Sb 0 2 o o o 0 1 o o o 1 3 o o o 