data_[Li4Ca4Dy4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.8189]
_cell_length_b [3.8892]
_cell_length_c [10.3988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiCaDyS3]
_chemical_formula_sum '[Li4 Ca4 Dy4 S12]'
_cell_volume [518.4410]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0044  0.2500  0.9137  1
  Ca  Ca1  4  0.2259  0.7500  0.9685  1
  Dy  Dy2  4  0.0144  0.7500  0.6702  1
  S  S3  4  0.1034  0.2500  0.1077  1
  S  S4  4  0.1131  0.7500  0.4361  1
  S  S5  4  0.1404  0.2500  0.7602  1
]