data_[Sr2Li2Pr2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5564]
_cell_length_b [4.0883]
_cell_length_c [8.6958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLiPrS3]
_chemical_formula_sum '[Sr2 Li2 Pr2 S6]'
_cell_volume [298.6888]
_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
[
  Sr  Sr0  2  0.1734  0.2500  0.2250  1.0
  Li  Li1  2  0.0841  0.2500  0.5848  1.0
  Pr  Pr2  2  0.3377  0.7500  0.8233  1.0
  S  S3  2  0.1133  0.2500  0.8641  1.0
  S  S4  2  0.1977  0.7500  0.5012  1.0
  S  S5  2  0.4249  0.7500  0.1647  1.0
]