# generated using pymatgen
data_SrCa(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26437504
_cell_length_b   5.26434571
_cell_length_c   7.44233328
_cell_angle_alpha   89.99999765
_cell_angle_beta   90.00004471
_cell_angle_gamma   89.99995276
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa(CoO3)4
_chemical_formula_sum   'Sr1 Ca1 Co4 O12'
_cell_volume   206.25303011
_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  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  -0.00000000  1.0
  Co  Co2  1  0.99999961  0.49999998  0.75125723  1.0
  Co  Co3  1  0.00000039  0.50000002  0.24874277  1.0
  Co  Co4  1  0.49999965  0.99999998  0.24874485  1.0
  Co  Co5  1  0.50000035  0.00000002  0.75125515  1.0
  O  O6  1  0.25328632  0.25324380  0.24442316  1.0
  O  O7  1  0.25328634  0.25324389  0.75557684  1.0
  O  O8  1  0.74671366  0.74675611  0.24442316  1.0
  O  O9  1  0.74671368  0.74675620  0.75557684  1.0
  O  O10  1  0.74671381  0.25324368  0.75557670  1.0
  O  O11  1  0.74671378  0.25324379  0.24442318  1.0
  O  O12  1  0.25328622  0.74675621  0.75557682  1.0
  O  O13  1  0.25328619  0.74675632  0.24442330  1.0
  O  O14  1  0.00000000  0.50000000  0.50000000  1.0
  O  O15  1  0.00000000  0.50000000  -0.00000000  1.0
  O  O16  1  0.50000000  0.00000000  0.50000000  1.0
  O  O17  1  0.50000000  0.00000000  -0.00000000  1.0