# generated using pymatgen
data_SrCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83582173
_cell_length_b   8.52122023
_cell_length_c   10.81616800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.05676492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuO3
_chemical_formula_sum   'Sr6 Cu6 O18'
_cell_volume   353.53581399
_cell_formula_units_Z   6
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  0.99997800  0.00465200  0.00000000  1.0
  Sr  Sr1  1  0.99979900  0.01590300  0.50000000  1.0
  Sr  Sr2  1  0.00141100  0.31322600  0.24808500  1.0
  Sr  Sr3  1  0.00141100  0.31322600  0.75191500  1.0
  Sr  Sr4  1  0.99859600  0.70584300  0.25275400  1.0
  Sr  Sr5  1  0.99859600  0.70584300  0.74724600  1.0
  Cu  Cu6  1  0.50114500  0.33926300  0.00000000  1.0
  Cu  Cu7  1  0.49959400  0.67113200  0.00000000  1.0
  Cu  Cu8  1  0.50039900  0.34930800  0.50000000  1.0
  Cu  Cu9  1  0.49919700  0.68114200  0.50000000  1.0
  Cu  Cu10  1  0.50000800  0.00988500  0.25013600  1.0
  Cu  Cu11  1  0.50000800  0.00988500  0.74986400  1.0
  O  O12  1  0.50090100  0.17424200  0.12549500  1.0
  O  O13  1  0.50090100  0.17424200  0.87450500  1.0
  O  O14  1  0.50056900  0.50445100  0.12331200  1.0
  O  O15  1  0.50056900  0.50445100  0.87668800  1.0
  O  O16  1  0.49920800  0.83363900  0.12597300  1.0
  O  O17  1  0.49920800  0.83363900  0.87402700  1.0
  O  O18  1  0.50074300  0.18528900  0.37449600  1.0
  O  O19  1  0.50074300  0.18528900  0.62550400  1.0
  O  O20  1  0.49945600  0.51603700  0.37657500  1.0
  O  O21  1  0.49945600  0.51603700  0.62342500  1.0
  O  O22  1  0.49911800  0.84561500  0.37413100  1.0
  O  O23  1  0.49911800  0.84561500  0.62586900  1.0
  O  O24  1  0.99959200  0.70109000  0.00000000  1.0
  O  O25  1  0.00091600  0.30988100  0.00000000  1.0
  O  O26  1  0.00036000  0.32170800  0.50000000  1.0
  O  O27  1  0.99907700  0.71028400  0.50000000  1.0
  O  O28  1  0.99996300  0.00959100  0.25012300  1.0
  O  O29  1  0.99996300  0.00959100  0.74987700  1.0