data_[Li14Ca2Sn8]
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 [12.9560]
_cell_length_b [5.0188]
_cell_length_c [10.0283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7CaSn4]
_chemical_formula_sum '[Li14 Ca2 Sn8]'
_cell_volume [529.7990]
_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  0.0726  0.0000  0.3716  1
  Li  Li1  4  0.1587  0.5000  0.5910  1
  Li  Li2  4  0.2147  0.0000  0.8682  1
  Li  Li3  2  0.0000  0.5000  0.0000  1
  Ca  Ca4  2  0.0000  0.0000  0.0000  1
  Sn  Sn5  4  0.0723  0.5000  0.7940  1
  Sn  Sn6  4  0.1902  0.5000  0.3206  1
]