data_SrAl2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   121.88
_cell_angle_beta   121.88
_cell_angle_gamma   86.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Co
_chemical_formula_sum   'Sr1 Al2 Co1'
_cell_volume   72.68
_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
  Sr  Sr3  1  0.0  0.0  0.44  1.0
  Al  Al0  1  0.0  0.3  0.72  1.0
  Al  Al1  1  0.3  0.0  0.72  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_SrAl2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   133.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrAl2Co
_chemical_formula_sum   'Sr2 Al4 Co2'
_cell_volume   145.35
_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
  Sr  Sr0  2  0.06  0.5  0.56  1.0
  Al  Al1  4  0.43  0.15  0.58  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0

Sr Al Al Co