data_[Zn2Ag6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8809]
_cell_length_b [8.0006]
_cell_length_c [21.2195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [95.1546]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Zn(AgAs)3]
_chemical_formula_sum '[Zn2 Ag6 As6]'
_cell_volume [825.2627]
_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
[
  Zn  Zn0  1  0.4916  0.4163  0.3921  1
  Zn  Zn1  1  0.9902  0.9229  0.3986  1
  Ag  Ag2  1  0.1977  0.5077  0.4940  1
  Ag  Ag3  1  0.4742  0.0887  0.3763  1
  Ag  Ag4  1  0.4808  0.7513  0.4091  1
  Ag  Ag5  1  0.6889  0.0114  0.4995  1
  Ag  Ag6  1  0.9663  0.5978  0.3797  1
  Ag  Ag7  1  0.9854  0.2555  0.4015  1
  As  As8  1  0.0056  0.8470  0.6330  1
  As  As9  1  0.1049  0.3034  0.5868  1
  As  As10  1  0.1922  0.0240  0.5423  1
  As  As11  1  0.4107  0.7057  0.6694  1
  As  As12  1  0.5266  0.4090  0.6459  1
  As  As13  1  0.6648  0.6466  0.5718  1
]