data_SrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   5.45
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   95.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoO3
_chemical_formula_sum   'Sr4 Co4 O12'
_cell_volume   246.95
_cell_formula_units_Z   4
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  Sr16  1  0.38  0.09  0.18  1.0
  Sr  Sr17  1  0.05  0.36  0.18  1.0
  Sr  Sr18  1  0.91  0.09  0.08  1.0
  Sr  Sr19  1  0.58  0.36  0.08  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.73  0.0  1.0
  Co  Co2  1  0.43  0.09  0.03  1.0
  Co  Co3  1  0.52  0.36  0.24  1.0
  O  O4  1  0.84  0.36  0.96  1.0
  O  O5  1  0.81  0.09  0.99  1.0
  O  O6  1  0.29  0.0  0.02  1.0
  O  O7  1  0.29  0.72  0.02  1.0
  O  O8  1  0.95  0.09  0.65  1.0
  O  O9  1  0.49  0.36  0.65  1.0
  O  O10  1  0.47  0.09  0.61  1.0
  O  O11  1  0.01  0.36  0.61  1.0
  O  O12  1  0.67  0.73  0.25  1.0
  O  O13  1  0.67  0.45  0.25  1.0
  O  O14  1  0.15  0.36  0.27  1.0
  O  O15  1  0.12  0.09  0.31  1.0

data_SrCoO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   5.45
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   95.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoO3
_chemical_formula_sum   'Sr4 Co4 O12'
_cell_volume   246.95
_cell_formula_units_Z   4
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  0.05  0.36  0.18  1.0
  Sr  Sr1  1  0.38  0.09  0.18  1.0
  Sr  Sr2  1  0.58  0.36  0.08  1.0
  Sr  Sr3  1  0.91  0.09  0.08  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.0  0.73  0.0  1.0
  Co  Co6  1  0.43  0.09  0.03  1.0
  Co  Co7  1  0.52  0.36  0.24  1.0
  O  O8  1  0.01  0.36  0.61  1.0
  O  O9  1  0.12  0.09  0.31  1.0
  O  O10  1  0.15  0.36  0.27  1.0
  O  O11  1  0.29  0.0  0.02  1.0
  O  O12  1  0.29  0.72  0.02  1.0
  O  O13  1  0.47  0.09  0.61  1.0
  O  O14  1  0.49  0.36  0.65  1.0
  O  O15  1  0.67  0.45  0.25  1.0
  O  O16  1  0.67  0.73  0.25  1.0
  O  O17  1  0.81  0.09  0.99  1.0
  O  O18  1  0.84  0.36  0.96  1.0
  O  O19  1  0.95  0.09  0.65  1.0

Sr Sr Sr Sr Co Co Co Co O O O O O O O O O O O O
Sr Sr Sr Sr Co Co Co Co O O O O O O O O O O O O 0 10 o o o 0 19 o o o 0 6 o o o 0 7 o o o 1 18 o o o 1 19 o o o 2 9 o o - 2 4 + o o 2 8 o o - 3 6 o o o 3 7 o o o 3 8 o o - 3 17 o o o 4 9 - o - 4 5 o - o 5 11 o o o 6 10 o o o 7 17 o o o 8 9 o o o 10 11 o - o 12 15 + o o 13 14 o o o 16 17 o o o 18 19 o o o 