data_[Sr8Mn4Bi4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0638]
_cell_length_b [17.7393]
_cell_length_c [12.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2MnBiS5]
_chemical_formula_sum '[Sr8 Mn4 Bi4 S20]'
_cell_volume [895.6591]
_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  0.1145  0.6877  1.0
  Sr  Sr1  4  0.0000  0.1236  0.3369  1.0
  Mn  Mn2  4  0.0000  0.4526  0.4229  1.0
  Bi  Bi3  4  0.0000  0.2007  0.0367  1.0
  S  S4  4  0.0000  0.0228  0.0043  1.0
  S  S5  4  0.0000  0.2898  0.6897  1.0
  S  S6  4  0.0000  0.3268  0.3720  1.0
  S  S7  4  0.0000  0.3478  0.0134  1.0
  S  S8  4  0.0000  0.4933  0.7604  1.0
]