data_LaAl2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   25.71
_cell_angle_beta   25.71
_cell_angle_gamma   25.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2As
_chemical_formula_sum   'La1 Al2 As1'
_cell_volume   99.12
_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
  La  La3  1  0.0  0.0  0.22  1.0
  Al  Al0  1  0.0  0.0  0.65  1.0
  Al  Al1  1  0.0  0.0  0.78  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_LaAl2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   3.75
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   104.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAl2As
_chemical_formula_sum   'La2 Al4 As2'
_cell_volume   198.24
_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
  La  La0  2  0.0  0.0  0.78  1.0
  Al  Al1  2  0.0  0.0  0.22  1.0
  Al  Al2  2  0.0  0.0  0.35  1.0
  As  As3  2  0.0  0.0  0.0  1.0

La Al Al As