# generated using pymatgen
data_Sr8CaCu4(ReO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07886900
_cell_length_b   8.07886900
_cell_length_c   8.07886900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr8CaCu4(ReO8)3
_chemical_formula_sum   'Sr8 Ca1 Cu4 Re3 O24'
_cell_volume   527.29262625
_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  0.72953500  0.27046500  0.27046500  1.0
  Sr  Sr1  1  0.27046500  0.27046500  0.72953500  1.0
  Sr  Sr2  1  0.27046500  0.27046500  0.27046500  1.0
  Sr  Sr3  1  0.72953500  0.72953500  0.72953500  1.0
  Sr  Sr4  1  0.27046500  0.72953500  0.72953500  1.0
  Sr  Sr5  1  0.72953500  0.27046500  0.72953500  1.0
  Sr  Sr6  1  0.27046500  0.72953500  0.27046500  1.0
  Sr  Sr7  1  0.72953500  0.72953500  0.27046500  1.0
  Ca  Ca8  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu9  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu10  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu11  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu12  1  0.50000000  0.00000000  0.50000000  1.0
  Re  Re13  1  0.50000000  0.00000000  0.00000000  1.0
  Re  Re14  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re15  1  0.00000000  0.50000000  0.00000000  1.0
  O  O16  1  0.76343300  0.00000000  0.50000000  1.0
  O  O17  1  0.76343300  0.50000000  0.00000000  1.0
  O  O18  1  0.50000000  0.00000000  0.76343300  1.0
  O  O19  1  0.00000000  0.76343300  0.50000000  1.0
  O  O20  1  0.50000000  0.00000000  0.23656700  1.0
  O  O21  1  0.00000000  0.23656700  0.50000000  1.0
  O  O22  1  0.50000000  0.76343300  0.00000000  1.0
  O  O23  1  0.50000000  0.23656700  0.00000000  1.0
  O  O24  1  0.00000000  0.50000000  0.23656700  1.0
  O  O25  1  0.00000000  0.50000000  0.76343300  1.0
  O  O26  1  0.23656700  0.00000000  0.50000000  1.0
  O  O27  1  0.23656700  0.50000000  0.00000000  1.0
  O  O28  1  0.75363100  0.50000000  0.50000000  1.0
  O  O29  1  0.50000000  0.75363100  0.50000000  1.0
  O  O30  1  0.50000000  0.24636900  0.50000000  1.0
  O  O31  1  0.50000000  0.50000000  0.24636900  1.0
  O  O32  1  0.27003700  0.00000000  0.00000000  1.0
  O  O33  1  0.00000000  0.00000000  0.72996300  1.0
  O  O34  1  0.00000000  0.00000000  0.27003700  1.0
  O  O35  1  0.00000000  0.27003700  0.00000000  1.0
  O  O36  1  0.00000000  0.72996300  0.00000000  1.0
  O  O37  1  0.72996300  0.00000000  0.00000000  1.0
  O  O38  1  0.24636900  0.50000000  0.50000000  1.0
  O  O39  1  0.50000000  0.50000000  0.75363100  1.0