data_[K4Li2Ca2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7487]
_cell_length_b [4.4200]
_cell_length_c [6.8442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2LiCa]
_chemical_formula_sum '[K4 Li2 Ca2]'
_cell_volume [399.5781]
_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
[
  K  K0  2  0.2827  0.5000  0.2731  1
  K  K1  2  0.4962  0.5000  0.9996  1
  Li  Li2  2  0.0112  0.5000  0.5265  1
  Ca  Ca3  2  0.2099  0.0000  0.7008  1
]