data_[Cs2Mg2P2S8]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1508]
_cell_length_b [6.8201]
_cell_length_c [9.3057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMgPS4]
_chemical_formula_sum '[Cs2 Mg2 P2 S8]'
_cell_volume [370.7817]
_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  0.2599  0.2500  0.0653  1.0
  Mg  Mg1  2  0.2281  0.2500  0.5476  1.0
  P  P2  2  0.2144  0.7500  0.3454  1.0
  S  S3  4  0.0058  0.0125  0.6869  1.0
  S  S4  2  0.4031  0.7500  0.1992  1.0
  S  S5  2  0.4385  0.7500  0.5590  1.0
]