data_[Li8Ca4In10]
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/m]
_cell_length_a [12.3768]
_cell_length_b [6.1432]
_cell_length_c [8.8847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.1479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Ca2In5]
_chemical_formula_sum '[Li8 Ca4 In10]'
_cell_volume [516.3690]
_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  4  0.2418  0.0000  0.5567  1.0
  Li  Li1  4  0.2470  0.5000  0.1125  1.0
  Ca  Ca2  4  0.2024  0.5000  0.7282  1.0
  In  In3  8  0.0031  0.2498  0.1800  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
]