data_[Cs4Na4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5660]
_cell_length_b [4.8117]
_cell_length_c [12.1563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNaAs]
_chemical_formula_sum '[Cs4 Na4 As4]'
_cell_volume [557.5632]
_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  4  0.1761  0.0000  0.7180  1.0
  Na  Na1  4  0.1491  0.0000  0.0496  1.0
  As  As2  4  0.0309  0.5000  0.9017  1.0
]