data_LiLa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   8.01
_cell_angle_alpha   99.71
_cell_angle_beta   99.71
_cell_angle_gamma   56.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Co
_chemical_formula_sum   'Li1 La2 Co1'
_cell_volume   110.12
_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
  La  La1  1  0.63  0.0  0.41  1.0
  La  La2  1  0.09  0.0  0.45  1.0
  Co  Co0  1  0.86  0.0  0.93  1.0

data_LiLa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.11
_cell_length_c   8.01
_cell_angle_alpha   99.71
_cell_angle_beta   90.0
_cell_angle_gamma   118.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Co
_chemical_formula_sum   'Li1 La2 Co1'
_cell_volume   110.12
_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
  La  La1  1  0.0  0.37  0.59  1.0
  La  La2  1  0.0  0.91  0.55  1.0
  Co  Co3  1  0.0  0.14  0.07  1.0

Li La La Co