data_[Li8Ca8In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4301]
_cell_length_b [6.2965]
_cell_length_c [8.5715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Ca2In]
_chemical_formula_sum '[Li8 Ca8 In4]'
_cell_volume [540.8452]
_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  8  0.1182  0.1169  0.4885  1.0
  Ca  Ca1  8  0.1537  0.3733  0.1467  1.0
  In  In2  4  0.0000  0.2006  0.7500  1.0
]