# generated using pymatgen
data_Ba10Re6CO30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.10802179
_cell_length_b   11.10802179
_cell_length_c   7.92338300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999877
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba10Re6CO30
_chemical_formula_sum   'Ba10 Re6 C1 O30'
_cell_volume   846.67109372
_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
  Ba  Ba0  1  0.00000000  0.26898000  0.24880500  1.0
  Ba  Ba1  1  0.73102000  0.73102000  0.24880500  1.0
  Ba  Ba2  1  0.26898000  0.00000000  0.24880500  1.0
  Ba  Ba3  1  0.00000000  0.73141000  0.73231100  1.0
  Ba  Ba4  1  0.26859000  0.26859000  0.73231100  1.0
  Ba  Ba5  1  0.73141000  0.00000000  0.73231100  1.0
  Ba  Ba6  1  0.33333300  0.66666700  0.49809800  1.0
  Ba  Ba7  1  0.66666700  0.33333300  0.49809800  1.0
  Ba  Ba8  1  0.66666700  0.33333300  0.99821200  1.0
  Ba  Ba9  1  0.33333300  0.66666700  0.99821200  1.0
  Re  Re10  1  0.00000000  0.38841200  0.79304500  1.0
  Re  Re11  1  0.61158800  0.61158800  0.79304500  1.0
  Re  Re12  1  0.38841200  0.00000000  0.79304500  1.0
  Re  Re13  1  0.00000000  0.61183000  0.29115200  1.0
  Re  Re14  1  0.38817000  0.38817000  0.29115200  1.0
  Re  Re15  1  0.61183000  0.00000000  0.29115200  1.0
  C  C16  1  0.00000000  0.00000000  0.49035300  1.0
  O  O17  1  0.13086100  0.57530500  0.75404700  1.0
  O  O18  1  0.42469500  0.55555700  0.75404700  1.0
  O  O19  1  0.44444300  0.86913900  0.75404700  1.0
  O  O20  1  0.86913900  0.44444300  0.75404700  1.0
  O  O21  1  0.57530500  0.13086100  0.75404700  1.0
  O  O22  1  0.55555700  0.42469500  0.75404700  1.0
  O  O23  1  0.86941800  0.42466200  0.25286000  1.0
  O  O24  1  0.57533800  0.44475700  0.25286000  1.0
  O  O25  1  0.55524300  0.13058200  0.25286000  1.0
  O  O26  1  0.13058200  0.55524300  0.25286000  1.0
  O  O27  1  0.42466200  0.86941800  0.25286000  1.0
  O  O28  1  0.44475700  0.57533800  0.25286000  1.0
  O  O29  1  0.13160100  0.38528200  0.93467200  1.0
  O  O30  1  0.61471800  0.74631900  0.93467200  1.0
  O  O31  1  0.25368100  0.86839900  0.93467200  1.0
  O  O32  1  0.86839900  0.25368100  0.93467200  1.0
  O  O33  1  0.38528200  0.13160100  0.93467200  1.0
  O  O34  1  0.74631900  0.61471800  0.93467200  1.0
  O  O35  1  0.86792800  0.61216300  0.43497900  1.0
  O  O36  1  0.38783700  0.25576500  0.43497900  1.0
  O  O37  1  0.74423500  0.13207200  0.43497900  1.0
  O  O38  1  0.13207200  0.74423500  0.43497900  1.0
  O  O39  1  0.61216300  0.86792800  0.43497900  1.0
  O  O40  1  0.25576500  0.38783700  0.43497900  1.0
  O  O41  1  0.00000000  0.29332900  0.61482500  1.0
  O  O42  1  0.70667100  0.70667100  0.61482500  1.0
  O  O43  1  0.29332900  0.00000000  0.61482500  1.0
  O  O44  1  0.00000000  0.70998000  0.11570400  1.0
  O  O45  1  0.29002000  0.29002000  0.11570400  1.0
  O  O46  1  0.70998000  0.00000000  0.11570400  1.0