data_SrAlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   36.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlCo2
_chemical_formula_sum   'Sr1 Al1 Co2'
_cell_volume   80.05
_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  0.92  0.0  0.2  1.0
  Al  Al0  1  0.0  0.0  0.11  1.0
  Co  Co1  1  0.92  0.0  0.99  1.0
  Co  Co2  1  0.0  0.0  0.01  1.0

data_SrAlCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.84
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   108.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAlCo2
_chemical_formula_sum   'Sr1 Al1 Co2'
_cell_volume   80.05
_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  Sr0  1  0.8  0.92  0.8  1.0
  Al  Al1  1  0.89  0.0  0.89  1.0
  Co  Co2  1  0.01  0.92  0.01  1.0
  Co  Co3  1  0.99  0.0  0.99  1.0

Sr Al Co Co