data_NaIn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   129.56
_cell_angle_beta   129.56
_cell_angle_gamma   74.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2As
_chemical_formula_sum   'Na1 In2 As1'
_cell_volume   99.08
_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  Na3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.43  1.0
  In  In2  1  0.0  0.36  0.21  1.0
  As  As0  1  0.36  0.0  0.21  1.0

data_NaIn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.55
_cell_angle_alpha   115.22
_cell_angle_beta   115.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2As
_chemical_formula_sum   'Na1 In2 As1'
_cell_volume   99.08
_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  0.15  0.36  0.15  1.0
  In  In2  1  0.57  0.0  0.57  1.0
  As  As3  1  0.79  0.0  0.15  1.0

Na In In As