data_[Sr3Li6Zr9S24]
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
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7294]
_cell_length_b [7.7294]
_cell_length_c [19.1488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrLi2Zr3S8]
_chemical_formula_sum '[Sr3 Li6 Zr9 S24]'
_cell_volume [990.7459]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0343  1.0
  Li  Li1  3  0.0000  0.0000  0.5147  1.0
  Li  Li2  3  0.0000  0.0000  0.8691  1.0
  Zr  Zr3  9  0.0084  0.5042  0.0061  1.0
  S  S4  9  0.0093  0.5047  0.2677  1.0
  S  S5  9  0.1922  0.3844  0.0869  1.0
  S  S6  3  0.0000  0.0000  0.2630  1.0
  S  S7  3  0.0000  0.0000  0.7444  1.0
]