data_[Zn4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0936]
_cell_length_b [6.4800]
_cell_length_c [7.0114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnAs2]
_chemical_formula_sum '[Zn4 As8]'
_cell_volume [240.3450]
_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  0.2823  0.0243  0.0387  1
  As  As1  4  0.1257  0.1244  0.3455  1
  As  As2  4  0.2904  0.6431  0.1399  1
]