data_Sr3Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Co2
_chemical_formula_sum   'Sr3 Co2'
_cell_volume   145.41
_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  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.52  0.45  0.43  1.0
  Sr  Sr4  1  0.0  0.91  0.19  1.0
  Co  Co0  1  0.52  0.45  0.75  1.0
  Co  Co1  1  0.0  0.91  0.87  1.0

data_Sr3Co2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Co2
_chemical_formula_sum   'Sr3 Co2'
_cell_volume   145.41
_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  0.91  0.19  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.52  0.45  0.43  1.0
  Co  Co3  1  -0.0  0.91  0.87  1.0
  Co  Co4  1  0.52  0.45  0.75  1.0

Sr Sr Sr Co Co
Sr Sr Sr Co Co 0 4 o - - 0 2 o - o 1 3 o o o 3 4 + o o 