data_LiCaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   6.77
_cell_length_c   3.8
_cell_angle_alpha   81.86
_cell_angle_beta   67.01
_cell_angle_gamma   31.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaCl
_chemical_formula_sum   'Li1 Ca1 Cl1'
_cell_volume   81.52
_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
  Li  Li2  1  0.91  0.29  0.97  1.0
  Ca  Ca0  1  0.91  0.29  0.2  1.0
  Cl  Cl1  1  0.91  0.29  0.82  1.0

data_LiCaCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.82
_cell_length_b   12.99
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   120.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCaCl
_chemical_formula_sum   'Li2 Ca2 Cl2'
_cell_volume   163.04
_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
  Li  Li0  2  0.47  0.5  0.88  1.0
  Ca  Ca1  2  0.2  0.0  0.11  1.0
  Cl  Cl2  2  0.32  0.5  0.73  1.0

Li Ca Cl