data_[V1Cd4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.6071]
_cell_length_b [5.6744]
_cell_length_c [18.6121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [V(CdAs)4]
_chemical_formula_sum '[V1 Cd4 As4]'
_cell_volume [1014.6262]
_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
[
  V  V0  1  0.4392  0.5000  0.4581  1
  Cd  Cd1  2  0.7079  0.2488  0.5307  1
  Cd  Cd2  1  0.0359  0.5000  0.5290  1
  Cd  Cd3  1  0.3722  0.0000  0.5217  1
  As  As4  2  0.2132  0.2785  0.4385  1
  As  As5  1  0.5887  0.0000  0.4294  1
  As  As6  1  0.8414  0.5000  0.6235  1
]