data_[Ag12Te12As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8734]
_cell_length_b [9.4337]
_cell_length_c [11.8207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag3Te3As]
_chemical_formula_sum '[Ag12 Te12 As4]'
_cell_volume [758.2281]
_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
[
  Ag  Ag0  4  0.0614  0.1153  0.1503  1
  Ag  Ag1  4  0.3090  0.7476  0.3229  1
  Ag  Ag2  4  0.3436  0.1949  0.9834  1
  Te  Te3  4  0.1888  0.0370  0.3905  1
  Te  Te4  4  0.2504  0.6034  0.5284  1
  Te  Te5  4  0.3227  0.1651  0.7242  1
  As  As6  4  0.1917  0.5907  0.1284  1
]