data_[Cs4Ba2Ga2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6469]
_cell_length_b [9.9933]
_cell_length_c [9.4710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Cs2BaGaAs2]
_chemical_formula_sum '[Cs4 Ba2 Ga2 As4]'
_cell_volume [439.8135]
_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
[
  Cs  Cs0  2  0.0000  0.1759  0.3678  1.0
  Cs  Cs1  2  0.5000  0.1029  0.0299  1.0
  Ba  Ba2  2  0.0000  0.4730  0.9763  1.0
  Ga  Ga3  2  0.5000  0.3316  0.6885  1.0
  As  As4  2  0.0000  0.2086  0.7444  1.0
  As  As5  2  0.5000  0.4215  0.2388  1.0
]