data_[Sr12Bi4As2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7164]
_cell_length_b [8.6628]
_cell_length_c [13.6776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Bi2AsS]
_chemical_formula_sum '[Sr12 Bi4 As2 S2]'
_cell_volume [754.5122]
_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
[
  Sr  Sr0  4  0.1239  0.1918  0.9414  1.0
  Sr  Sr1  4  0.2598  0.6907  0.9388  1.0
  Sr  Sr2  4  0.3736  0.0428  0.7517  1.0
  Bi  Bi3  4  0.2088  0.0913  0.2477  1.0
  As  As4  2  0.0000  0.0000  0.5000  1.0
  S  S5  2  0.5000  0.0000  0.0000  1.0
]