data_LiCa2La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   3.62
_cell_angle_alpha   100.23
_cell_angle_beta   100.23
_cell_angle_gamma   116.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2La
_chemical_formula_sum   'Li1 Ca2 La1'
_cell_volume   146.79
_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  Li3  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.21  0.95  0.7  1.0
  Ca  Ca1  1  0.21  0.05  0.7  1.0
  La  La2  1  0.65  0.0  0.0  1.0

data_LiCa2La
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   116.57
_cell_angle_beta   100.23
_cell_angle_gamma   100.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2La
_chemical_formula_sum   'Li1 Ca2 La1'
_cell_volume   146.79
_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  Li0  1  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.7  0.21  0.05  1.0
  Ca  Ca2  1  0.7  0.21  0.95  1.0
  La  La3  1  0.0  0.65  0.0  1.0

Li Ca Ca La