data_BaSrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.62
_cell_angle_alpha   96.26
_cell_angle_beta   96.26
_cell_angle_gamma   36.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrCo2
_chemical_formula_sum   'Ba1 Sr1 Co2'
_cell_volume   94.8
_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
  Ba  Ba0  1  0.5  0.0  0.36  1.0
  Sr  Sr3  1  0.19  0.0  0.39  1.0
  Co  Co1  1  0.0  0.0  0.03  1.0
  Co  Co2  1  0.22  0.0  0.11  1.0

data_BaSrCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.62
_cell_length_c   5.87
_cell_angle_alpha   96.26
_cell_angle_beta   108.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrCo2
_chemical_formula_sum   'Ba1 Sr1 Co2'
_cell_volume   94.8
_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
  Ba  Ba0  1  0.0  0.36  0.5  1.0
  Sr  Sr1  1  0.0  0.39  0.19  1.0
  Co  Co2  1  0.0  0.03  0.0  1.0
  Co  Co3  1  0.0  0.11  0.22  1.0

Ba Sr Co Co
Ba Sr Co Co 0 3 o o o 0 1 o o o 1 3 o o o 2 3 o o o 