data_[Li2Ca2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0502]
_cell_length_b [4.1484]
_cell_length_c [9.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCaCl3]
_chemical_formula_sum '[Li2 Ca2 Cl6]'
_cell_volume [273.4723]
_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  0.0976  0.2500  0.0898  1.0
  Ca  Ca1  2  0.2620  0.2500  0.5820  1.0
  Cl  Cl2  2  0.0094  0.7500  0.6494  1.0
  Cl  Cl3  2  0.2106  0.7500  0.0231  1.0
  Cl  Cl4  2  0.4965  0.2500  0.3483  1.0
]