data_[Cs2Y2Mg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3331]
_cell_length_b [4.1481]
_cell_length_c [10.1301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsYMgS3]
_chemical_formula_sum '[Cs2 Y2 Mg2 S6]'
_cell_volume [366.7215]
_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  0.2172  0.2500  0.2363  1.0
  Y  Y1  2  0.3341  0.7500  0.8676  1.0
  Mg  Mg2  2  0.0846  0.2500  0.6123  1.0
  S  S3  2  0.1311  0.2500  0.8607  1.0
  S  S4  2  0.1889  0.7500  0.5517  1.0
  S  S5  2  0.4772  0.7500  0.1486  1.0
]