data_NaIn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   133.26
_cell_angle_beta   133.26
_cell_angle_gamma   68.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2Si
_chemical_formula_sum   'Na1 In2 Si1'
_cell_volume   92.45
_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  Na2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.65  1.0
  In  In1  1  0.0  0.23  0.33  1.0
  Si  Si3  1  0.23  0.0  0.33  1.0

data_NaIn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.62
_cell_angle_alpha   113.37
_cell_angle_beta   113.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2Si
_chemical_formula_sum   'Na1 In2 Si1'
_cell_volume   92.45
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.1  0.33  0.1  1.0
  In  In2  1  0.65  0.65  0.65  1.0
  Si  Si3  1  0.33  0.1  0.1  1.0

Na In In Si