data_Li5La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   8.11
_cell_angle_alpha   109.63
_cell_angle_beta   109.63
_cell_angle_gamma   32.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5La
_chemical_formula_sum   'Li5 La1'
_cell_volume   140.79
_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  Li1  1  0.44  0.0  0.16  1.0
  Li  Li2  1  0.03  0.0  0.14  1.0
  Li  Li3  1  0.22  0.0  0.97  1.0
  Li  Li4  1  0.72  0.0  0.36  1.0
  Li  Li5  1  0.58  0.0  0.57  1.0
  La  La0  1  0.21  0.0  0.33  1.0

data_Li5La
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.84
_cell_length_c   8.11
_cell_angle_alpha   109.63
_cell_angle_beta   90.0
_cell_angle_gamma   106.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5La
_chemical_formula_sum   'Li5 La1'
_cell_volume   140.79
_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  0.28  0.64  1.0
  Li  Li1  1  0.0  0.42  0.43  1.0
  Li  Li2  1  0.0  0.56  0.84  1.0
  Li  Li3  1  0.0  0.78  0.03  1.0
  Li  Li4  1  0.0  0.97  0.86  1.0
  La  La5  1  0.0  0.79  0.67  1.0

Li Li Li Li Li La