data_[Sr20Bi8As4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7996]
_cell_length_b [19.6012]
_cell_length_c [14.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr5Bi2AsCl]
_chemical_formula_sum '[Sr20 Bi8 As4 Cl4]'
_cell_volume [1329.6437]
_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
[
  Sr  Sr0  4  0.0000  0.0610  0.0689  1.0
  Sr  Sr1  4  0.0000  0.2806  0.6543  1.0
  Sr  Sr2  4  0.0000  0.3054  0.3624  1.0
  Sr  Sr3  4  0.0000  0.3618  0.0008  1.0
  Sr  Sr4  4  0.0000  0.4969  0.7751  1.0
  Bi  Bi5  4  0.0000  0.1058  0.6871  1.0
  Bi  Bi6  4  0.0000  0.1298  0.2974  1.0
  As  As7  4  0.0000  0.2070  0.0037  1.0
  Cl  Cl8  4  0.0000  0.4774  0.4744  1.0
]