data_AlCo2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   7.95
_cell_angle_alpha   19.57
_cell_angle_beta   19.57
_cell_angle_gamma   19.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCo2Si
_chemical_formula_sum   'Al1 Co2 Si1'
_cell_volume   49.24
_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  0.44  1.0
  Co  Co1  1  0.0  0.0  0.33  1.0
  Co  Co2  1  0.0  0.0  0.81  1.0
  Si  Si3  1  0.0  0.0  0.87  1.0

data_AlCo2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   2.7
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   101.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCo2Si
_chemical_formula_sum   'Al2 Co4 Si2'
_cell_volume   98.48
_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
  Al  Al0  2  0.0  0.0  0.56  1.0
  Co  Co1  2  0.0  0.0  0.67  1.0
  Co  Co2  2  0.0  0.0  0.19  1.0
  Si  Si3  2  0.0  0.0  0.13  1.0

Al Co Co Si