data_[Zn4Sn8As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.3417]
_cell_length_b [12.8185]
_cell_length_c [7.7456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [ZnSn2As3]
_chemical_formula_sum '[Zn4 Sn8 As12]'
_cell_volume [683.0751]
_cell_formula_units_Z [4]
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
[
  Zn  Zn0  4  0.4762  0.5810  0.9857  1
  Sn  Sn1  4  0.4840  0.2575  0.9939  1
  Sn  Sn2  4  0.4915  0.0831  0.4847  1
  As  As3  4  0.3453  0.0848  0.1058  1
  As  As4  4  0.3747  0.2582  0.6186  1
  As  As5  4  0.3808  0.4293  0.1400  1
]