data_[Ba1Cd2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5568]
_cell_length_b [4.5411]
_cell_length_c [17.7620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ba(CdAs)2]
_chemical_formula_sum '[Ba1 Cd2 As2]'
_cell_volume [528.8669]
_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
[
  Ba  Ba0  1  0.6842  0.0000  0.4160  1
  Cd  Cd1  1  0.0470  0.5000  0.5096  1
  Cd  Cd2  1  0.4359  0.0000  0.5715  1
  As  As3  1  0.1810  0.0000  0.4477  1
  As  As4  1  0.6589  0.5000  0.5552  1
]