data_[Cd6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5864]
_cell_length_b [6.3239]
_cell_length_c [21.9340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [91.4304]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cd3As2]
_chemical_formula_sum '[Cd6 As4]'
_cell_volume [635.9780]
_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
[
  Cd  Cd0  1  0.0402  0.6093  0.6143  1
  Cd  Cd1  1  0.1577  0.8664  0.4585  1
  Cd  Cd2  1  0.5035  0.2830  0.4973  1
  Cd  Cd3  1  0.5716  0.9157  0.6046  1
  Cd  Cd4  1  0.6662  0.8103  0.3512  1
  Cd  Cd5  1  0.8725  0.3992  0.3576  1
  As  As6  1  0.0119  0.2253  0.5724  1
  As  As7  1  0.1014  0.9943  0.6673  1
  As  As8  1  0.3536  0.1643  0.3776  1
  As  As9  1  0.6598  0.6968  0.4992  1
]