data_[Na4Zr4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4305]
_cell_length_b [3.2498]
_cell_length_c [16.2802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaZrIn]
_chemical_formula_sum '[Na4 Zr4 In4]'
_cell_volume [287.3118]
_cell_formula_units_Z [4]
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  2  0.5000  0.0000  0.3533  1
  Na  Na1  2  0.5000  0.0000  0.6876  1
  Zr  Zr2  2  0.0000  0.0000  0.5663  1
  Zr  Zr3  2  0.0000  0.0000  0.9105  1
  In  In4  2  0.0000  0.0000  0.2398  1
  In  In5  2  0.5000  0.0000  0.0169  1
]