data_LiLa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24
_cell_length_b   9.24
_cell_length_c   9.24
_cell_angle_alpha   24.57
_cell_angle_beta   24.57
_cell_angle_gamma   24.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Co
_chemical_formula_sum   'Li1 La2 Co1'
_cell_volume   119.85
_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  0.0  0.0  0.82  1.0
  La  La2  1  0.0  0.0  0.04  1.0
  Co  Co0  1  0.0  0.0  0.43  1.0

data_LiLa2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.81
_cell_length_b   3.93
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   104.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLa2Co
_chemical_formula_sum   'Li2 La4 Co2'
_cell_volume   239.69
_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  0.0  0.0  0.0  1.0
  La  La1  2  0.0  0.0  0.18  1.0
  La  La2  2  0.0  0.0  0.96  1.0
  Co  Co3  2  0.0  0.0  0.57  1.0

Li La La Co
Li La La Co 0 2 o o o 0 1 o o - 0 3 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 