data_[Cd4Ag2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0674]
_cell_length_b [8.6732]
_cell_length_c [19.8428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cd2AgAs2]
_chemical_formula_sum '[Cd4 Ag2 As4]'
_cell_volume [700.0055]
_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
[
  Cd  Cd0  2  0.0000  0.2383  0.4628  1
  Cd  Cd1  1  0.0000  0.0000  0.5967  1
  Cd  Cd2  1  0.5000  0.5000  0.4779  1
  Ag  Ag3  1  0.5000  0.0000  0.4602  1
  Ag  Ag4  1  0.5000  0.5000  0.6187  1
  As  As5  2  0.5000  0.2165  0.5785  1
  As  As6  1  0.0000  0.0000  0.3746  1
  As  As7  1  0.0000  0.5000  0.3893  1
]