data_[Cs4K10As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.5303]
_cell_length_b [24.8927]
_cell_length_c [5.7744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cs2K5As2]
_chemical_formula_sum '[Cs4 K10 As4]'
_cell_volume [938.6579]
_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  4  0.0000  0.2807  0.5000  1
  K  K1  4  0.0000  0.1008  0.5000  1
  K  K2  4  0.0000  0.3908  0.0000  1
  K  K3  2  0.0000  0.0000  0.0000  1
  As  As4  4  0.0000  0.1538  0.0000  1
]