data_[Na2Zr1Cd1S4]
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
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8075]
_cell_length_b [3.8307]
_cell_length_c [7.0352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2ZrCdS4]
_chemical_formula_sum '[Na2 Zr1 Cd1 S4]'
_cell_volume [172.8795]
_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  0.0000  0.5000  0.5000  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  Zr  Zr2  1  0.5000  0.5000  0.0000  1.0
  Cd  Cd3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2535  0.5000  0.2147  1.0
  S  S5  2  0.2792  0.0000  0.7737  1.0
]