data_Al2CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoSi
_chemical_formula_sum   'Al2 Co1 Si1'
_cell_volume   52.89
_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  0.27  0.84  0.41  1.0
  Al  Al1  1  0.27  0.16  0.41  1.0
  Co  Co2  1  0.54  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Al2CoSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   110.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CoSi
_chemical_formula_sum   'Al2 Co1 Si1'
_cell_volume   52.89
_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  0.41  0.27  0.16  1.0
  Al  Al1  1  0.41  0.27  0.84  1.0
  Co  Co2  1  0.0  0.54  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Al Al Co Si
Al Al Co Si 0 1 o + o 0 2 o + o 0 2 o + + 0 3 o + o 1 3 o o o 1 3 o o + 1 2 o o o 2 3 + o o 