data_[Li8Ca8Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2870]
_cell_length_b [4.7978]
_cell_length_c [11.6507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ca2Sn]
_chemical_formula_sum '[Li8 Ca8 Sn4]'
_cell_volume [564.7424]
_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  4  0.0019  0.5000  0.1188  1.0
  Li  Li1  4  0.1611  0.5000  0.5457  1.0
  Ca  Ca2  4  0.0270  0.0000  0.3392  1.0
  Ca  Ca3  4  0.2074  0.0000  0.1233  1.0
  Sn  Sn4  4  0.2369  0.5000  0.3336  1.0
]