data_[Cs2Pr2Mg2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  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 [9.5276]
_cell_length_b [4.2731]
_cell_length_c [10.1706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPrMgS3]
_chemical_formula_sum '[Cs2 Pr2 Mg2 S6]'
_cell_volume [392.9003]
_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  0.2052  0.2500  0.2289  1.0
  Pr  Pr1  2  0.3346  0.7500  0.8610  1.0
  Mg  Mg2  2  0.0838  0.2500  0.6077  1.0
  S  S3  2  0.1278  0.2500  0.8543  1.0
  S  S4  2  0.1792  0.7500  0.5433  1.0
  S  S5  2  0.4678  0.7500  0.1489  1.0
]