data_[Li4Ca2In2Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6042]
_cell_length_b [8.4771]
_cell_length_c [7.5451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li2CaInSn2]
_chemical_formula_sum '[Li4 Ca2 In2 Sn4]'
_cell_volume [294.4853]
_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  2  0.0000  0.2103  0.3805  1.0
  Li  Li1  2  0.5000  0.0784  0.0269  1.0
  Ca  Ca2  2  0.0000  0.4148  0.9811  1.0
  In  In3  2  0.5000  0.2951  0.6567  1.0
  Sn  Sn4  2  0.0000  0.0794  0.7323  1.0
  Sn  Sn5  2  0.5000  0.3667  0.2681  1.0
]