data_[Cs3Mg1B2S6]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.9009]
_cell_length_b [6.9009]
_cell_length_c [9.0105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Mg(BS3)2]
_chemical_formula_sum '[Cs3 Mg1 B2 S6]'
_cell_volume [371.6120]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.6952  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  1  0.0000  0.0000  0.5000  1
  B  B3  2  0.3333  0.6667  0.3216  1
  S  S4  6  0.1804  0.8196  0.3135  1
]