data_[Li4Ca12Sn4]
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 [P2_1/c]
_cell_length_a [7.1519]
_cell_length_b [8.8111]
_cell_length_c [10.0684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCa3Sn]
_chemical_formula_sum '[Li4 Ca12 Sn4]'
_cell_volume [634.4700]
_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  0.0629  0.7029  0.1234  1.0
  Ca  Ca1  4  0.2562  0.5548  0.8351  1.0
  Ca  Ca2  4  0.2600  0.5437  0.4129  1.0
  Ca  Ca3  4  0.2661  0.1840  0.6244  1.0
  Sn  Sn4  4  0.4550  0.7208  0.1261  1.0
]