data_Sr2AlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   123.6
_cell_angle_beta   121.39
_cell_angle_gamma   85.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlCo
_chemical_formula_sum   'Sr2 Al1 Co1'
_cell_volume   108.22
_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  Sr2  1  0.56  0.0  0.03  1.0
  Sr  Sr3  1  0.0  0.66  0.95  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.98  1.0

data_Sr2AlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.31
_cell_length_c   5.42
_cell_angle_alpha   119.3
_cell_angle_beta   118.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlCo
_chemical_formula_sum   'Sr2 Al1 Co1'
_cell_volume   108.22
_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  0.0  0.03  0.47  1.0
  Sr  Sr1  1  0.34  0.29  0.29  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.98  0.98  1.0

Sr Sr Al Co
Sr Sr Al Co 0 2 o o o 0 2 + o o 0 3 o o - 0 3 + o - 0 1 + - - 1 2 o + + 1 3 o + o 2 3 o o - 