data_[Sr2Cu2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4893]
_cell_length_b [3.9826]
_cell_length_c [8.6873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrCuBiS3]
_chemical_formula_sum '[Sr2 Cu2 Bi2 S6]'
_cell_volume [286.8479]
_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  2  0.1764  0.2500  0.2358  1.0
  Cu  Cu1  2  0.0810  0.2500  0.5837  1.0
  Bi  Bi2  2  0.3343  0.7500  0.8312  1.0
  S  S3  2  0.1061  0.2500  0.8644  1.0
  S  S4  2  0.2055  0.7500  0.5058  1.0
  S  S5  2  0.4264  0.7500  0.1655  1.0
]