data_[Cd2Sb1As1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1365]
_cell_length_b [4.4274]
_cell_length_c [5.8364]
_cell_angle_alpha [108.7436]
_cell_angle_beta [99.4502]
_cell_angle_gamma [99.2671]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd2SbAs]
_chemical_formula_sum '[Cd2 Sb1 As1]'
_cell_volume [97.1949]
_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
[
  Cd  Cd0  2  0.0051  0.2314  0.2634  1
  Sb  Sb1  1  0.5000  0.5000  0.0000  1
  As  As2  1  0.5000  0.0000  0.5000  1
]