data_K2CaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.56
_cell_angle_alpha   119.08
_cell_angle_beta   119.08
_cell_angle_gamma   31.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaCl
_chemical_formula_sum   'K2 Ca1 Cl1'
_cell_volume   196.39
_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  K2  1  0.56  0.0  0.33  1.0
  K  K3  1  0.19  0.0  0.19  1.0
  Ca  Ca0  1  0.38  0.0  0.26  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_K2CaCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   7.56
_cell_length_c   7.57
_cell_angle_alpha   119.08
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaCl
_chemical_formula_sum   'K2 Ca1 Cl1'
_cell_volume   196.39
_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  K0  1  0.0  0.19  0.19  1.0
  K  K1  1  0.0  0.33  0.56  1.0
  Ca  Ca2  1  0.0  0.26  0.38  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

K K Ca Cl
K K Ca Cl 0 2 o o o 1 2 o o o 1 3 o o o 