data_LiLa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   141.81
_cell_angle_beta   134.65
_cell_angle_gamma   60.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2As
_chemical_formula_sum   'Li1 La2 As1'
_cell_volume   101.34
_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  0.85  1.0
  La  La1  1  0.0  0.0  0.44  1.0
  La  La2  1  0.01  0.0  0.75  1.0
  As  As0  1  0.0  0.37  0.19  1.0

data_LiLa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.74
_cell_length_c   6.15
_cell_angle_alpha   112.67
_cell_angle_beta   109.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2As
_chemical_formula_sum   'Li1 La2 As1'
_cell_volume   101.34
_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  0.15  0.15  0.15  1.0
  La  La1  1  0.27  0.25  0.27  1.0
  La  La2  1  0.56  0.56  0.56  1.0
  As  As3  1  0.81  0.18  0.18  1.0

Li La La As