data_Sr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   148.26
_cell_angle_beta   129.03
_cell_angle_gamma   61.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Co
_chemical_formula_sum   'Sr3 Co1'
_cell_volume   148.34
_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  Sr1  1  0.0  0.08  0.99  1.0
  Sr  Sr2  1  0.96  0.0  0.16  1.0
  Sr  Sr3  1  0.0  0.0  0.16  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Sr3Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   6.16
_cell_length_c   7.16
_cell_angle_alpha   115.48
_cell_angle_beta   105.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Co
_chemical_formula_sum   'Sr3 Co1'
_cell_volume   148.34
_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  0.16  0.16  1.0
  Sr  Sr1  1  0.0  0.16  0.21  1.0
  Sr  Sr2  1  0.92  0.91  0.91  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

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