data_[Rb1Cd6As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4200]
_cell_length_b [4.4200]
_cell_length_c [12.0682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Rb(Cd3As)2]
_chemical_formula_sum '[Rb1 Cd6 As2]'
_cell_volume [235.7673]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.0000  1
  Cd  Cd1  4  0.0000  0.5000  0.3066  1
  Cd  Cd2  1  0.0000  0.0000  0.5000  1
  Cd  Cd3  1  0.5000  0.5000  0.5000  1
  As  As4  2  0.5000  0.5000  0.1701  1
]