data_[Cs2Mg2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  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 [9.6736]
_cell_length_b [4.2027]
_cell_length_c [10.0805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMgBiS3]
_chemical_formula_sum '[Cs2 Mg2 Bi2 S6]'
_cell_volume [389.3530]
_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  2  0.1972  0.2500  0.2290  1.0
  Mg  Mg1  2  0.0913  0.2500  0.6066  1.0
  Bi  Bi2  2  0.3422  0.7500  0.8673  1.0
  S  S3  2  0.1426  0.2500  0.8601  1.0
  S  S4  2  0.1744  0.7500  0.5263  1.0
  S  S5  2  0.4518  0.7500  0.1414  1.0
]