data_[Li2Co2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.6873]
_cell_length_b [3.4075]
_cell_length_c [5.9022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiCoS2]
_chemical_formula_sum '[Li2 Co2 S4]'
_cell_volume [114.3823]
_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
[
  Li  Li0  2  0.5000  0.2582  0.2500  1.0
  Co  Co1  2  0.0000  0.2507  0.2500  1.0
  S  S2  4  0.2017  0.2491  0.9174  1.0
]