data_[Li2Ca2Sb2S6]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0915]
_cell_length_b [3.9825]
_cell_length_c [10.1216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCaSbS3]
_chemical_formula_sum '[Li2 Ca2 Sb2 S6]'
_cell_volume [280.2963]
_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  0.3526  0.7500  0.9341  1.0
  Ca  Ca1  2  0.3732  0.2500  0.3263  1.0
  Sb  Sb2  2  0.1225  0.2500  0.6736  1.0
  S  S3  2  0.0160  0.7500  0.8165  1.0
  S  S4  2  0.2587  0.7500  0.4942  1.0
  S  S5  2  0.4775  0.2500  0.8269  1.0
]