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 [P-1]
_cell_length_a [3.4635]
_cell_length_b [22.8932]
_cell_length_c [22.8932]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd3As2]
_chemical_formula_sum '[Cd6 As4]'
_cell_volume [1572.0152]
_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  2  0.2417  0.4733  0.7284  1
  Cd  Cd1  2  0.2565  0.6453  0.3620  1
  Cd  Cd2  2  0.2628  0.4094  0.2545  1
  As  As3  2  0.2369  0.5560  0.8695  1
  As  As4  2  0.2629  0.3653  0.1179  1
]