data_[Li2Ca2In2Pb6]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1013]
_cell_length_b [4.8789]
_cell_length_c [10.2029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCaInPb3]
_chemical_formula_sum '[Li2 Ca2 In2 Pb6]'
_cell_volume [331.4694]
_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  0.4639  0.2500  0.8583  1.0
  Ca  Ca1  2  0.1452  0.7500  0.2820  1.0
  In  In2  2  0.4863  0.7500  0.6173  1.0
  Pb  Pb3  2  0.1890  0.2500  0.5407  1.0
  Pb  Pb4  2  0.2027  0.7500  0.8394  1.0
  Pb  Pb5  2  0.2223  0.2500  0.0662  1.0
]