data_[Li4Zr4Sc4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5458]
_cell_length_b [7.5511]
_cell_length_c [10.6601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiZrScS4]
_chemical_formula_sum '[Li4 Zr4 Sc4 S16]'
_cell_volume [607.4035]
_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  0.0000  0.2500  0.1188  1.0
  Zr  Zr1  4  0.2500  0.2500  0.7500  1.0
  Sc  Sc2  4  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.0000  0.0142  0.7449  1.0
  S  S4  8  0.2343  0.2500  0.5092  1.0
]