data_K2LiCa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   137.24
_cell_angle_beta   137.24
_cell_angle_gamma   62.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiCa
_chemical_formula_sum   'K2 Li1 Ca1'
_cell_volume   197.1
_cell_formula_units_Z   1
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  K1  1  0.0  0.76  0.24  1.0
  K  K2  1  0.76  0.0  0.24  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.0  0.0  0.48  1.0

data_K2LiCa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   121.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2LiCa
_chemical_formula_sum   'K4 Li2 Ca2'
_cell_volume   394.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.12  0.12  0.48  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Ca  Ca2  2  0.0  0.0  0.48  1.0

K K Li Ca