data_AlSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.42
_cell_angle_alpha   106.19
_cell_angle_beta   106.19
_cell_angle_gamma   42.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi3
_chemical_formula_sum   'Al1 Si3'
_cell_volume   60.16
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.63  0.0  0.11  1.0
  Si  Si2  1  0.1  0.0  0.07  1.0
  Si  Si3  1  0.15  0.0  0.15  1.0

data_AlSi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.42
_cell_length_c   4.6
_cell_angle_alpha   106.19
_cell_angle_beta   111.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi3
_chemical_formula_sum   'Al1 Si3'
_cell_volume   60.16
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.07  0.1  1.0
  Si  Si2  1  0.0  0.11  0.63  1.0
  Si  Si3  1  0.0  0.15  0.15  1.0

Al Si Si Si