data_[Nb2Cd2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.7326]
_cell_length_b [4.7326]
_cell_length_c [20.9701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [NbCdAs2]
_chemical_formula_sum '[Nb2 Cd2 As4]'
_cell_volume [469.6845]
_cell_formula_units_Z [2]
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
[
  Nb  Nb0  2  0.0000  0.5000  0.5733  1
  Cd  Cd1  2  0.0000  0.5000  0.4148  1
  As  As2  1  0.0000  0.0000  0.3518  1
  As  As3  1  0.0000  0.0000  0.5273  1
  As  As4  1  0.5000  0.5000  0.5079  1
  As  As5  1  0.5000  0.5000  0.6365  1
]