data_[Cs4Zn4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.0621]
_cell_length_b [4.2937]
_cell_length_c [10.8711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsZnAs]
_chemical_formula_sum '[Cs4 Zn4 As4]'
_cell_volume [558.7140]
_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
[
  Cs  Cs0  2  0.3244  0.0000  0.3293  1.0
  Cs  Cs1  2  0.3330  0.0000  0.8351  1.0
  Zn  Zn2  2  0.0492  0.5000  0.7410  1.0
  Zn  Zn3  2  0.1089  0.0000  0.9147  1.0
  As  As4  2  0.2096  0.5000  0.0122  1.0
  As  As5  2  0.4479  0.5000  0.6456  1.0
]