# generated using pymatgen
data_Ca11(ReO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.46076126
_cell_length_b   11.46076126
_cell_length_c   11.46076126
_cell_angle_alpha   122.00547940
_cell_angle_beta   122.00547940
_cell_angle_gamma   86.56014548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11(ReO6)4
_chemical_formula_sum   'Ca22 Re8 O48'
_cell_volume   1030.16312102
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.36618500  0.86618500  0.50000000  1.0
  Ca  Ca1  1  0.61618500  0.61618500  0.00000000  1.0
  Ca  Ca2  1  0.88246800  0.38246800  0.50000000  1.0
  Ca  Ca3  1  0.13246800  0.13246800  0.00000000  1.0
  Ca  Ca4  1  0.67329000  0.17329000  0.50000000  1.0
  Ca  Ca5  1  0.92329000  0.92329000  0.00000000  1.0
  Ca  Ca6  1  0.43385200  0.66693000  0.19853100  1.0
  Ca  Ca7  1  0.41693000  0.71839900  0.73307900  1.0
  Ca  Ca8  1  0.98532100  0.68385200  0.26692100  1.0
  Ca  Ca9  1  0.46839900  0.23532100  0.80146900  1.0
  Ca  Ca10  1  0.03096800  0.76681800  0.70156700  1.0
  Ca  Ca11  1  0.51681800  0.31525000  0.23584900  1.0
  Ca  Ca12  1  0.07940100  0.28096800  0.76415100  1.0
  Ca  Ca13  1  0.06525000  0.32940100  0.29843300  1.0
  Ca  Ca14  1  0.81353100  0.88122600  0.46692600  1.0
  Ca  Ca15  1  0.63122600  0.66430000  0.56769500  1.0
  Ca  Ca16  1  0.09660500  0.06353100  0.43230500  1.0
  Ca  Ca17  1  0.41430000  0.34660500  0.53307400  1.0
  Ca  Ca18  1  0.39979700  0.92881000  0.06517800  1.0
  Ca  Ca19  1  0.67881000  0.11363300  0.02901300  1.0
  Ca  Ca20  1  0.08461900  0.64979700  0.97098700  1.0
  Ca  Ca21  1  0.86363300  0.33461900  0.93482200  1.0
  Re  Re22  1  0.24893100  0.00065500  0.75058700  1.0
  Re  Re23  1  0.75065500  0.50006800  0.25172300  1.0
  Re  Re24  1  0.24834500  0.49893100  0.74827700  1.0
  Re  Re25  1  0.25006800  0.49834500  0.24941300  1.0
  Re  Re26  1  0.74018300  0.99882700  0.74010900  1.0
  Re  Re27  1  0.74882700  0.50871800  0.75864400  1.0
  Re  Re28  1  0.75007400  0.99018300  0.24135600  1.0
  Re  Re29  1  0.25871800  0.00007400  0.25989100  1.0
  O  O30  1  0.76167100  0.47451400  0.08038100  1.0
  O  O31  1  0.22451400  0.64413300  0.21284300  1.0
  O  O32  1  0.43128900  0.01167100  0.78715700  1.0
  O  O33  1  0.39413300  0.68128900  0.91961900  1.0
  O  O34  1  0.86309600  0.37200000  0.27738600  1.0
  O  O35  1  0.12200000  0.34461400  0.00890500  1.0
  O  O36  1  0.33570900  0.11309600  0.99109500  1.0
  O  O37  1  0.09461400  0.58570900  0.72261400  1.0
  O  O38  1  0.58556200  0.33024700  0.08468600  1.0
  O  O39  1  0.08024700  0.49556100  0.24468500  1.0
  O  O40  1  0.25087500  0.83556200  0.75531500  1.0
  O  O41  1  0.24556100  0.50087500  0.91531400  1.0
  O  O42  1  0.16348200  0.88651600  0.50918900  1.0
  O  O43  1  0.63651600  0.62732700  0.22303400  1.0
  O  O44  1  0.40429300  0.41348200  0.77696600  1.0
  O  O45  1  0.37732700  0.65429300  0.49081100  1.0
  O  O46  1  0.24617800  0.16484400  0.74394400  1.0
  O  O47  1  0.91484400  0.67090000  0.41866500  1.0
  O  O48  1  0.25223500  0.49617800  0.58133500  1.0
  O  O49  1  0.42090000  0.50223500  0.25605600  1.0
  O  O50  1  0.06535500  0.99021400  0.71065200  1.0
  O  O51  1  0.74021400  0.52956200  0.42485800  1.0
  O  O52  1  0.10470400  0.31535500  0.57514100  1.0
  O  O53  1  0.27956200  0.35470400  0.28934800  1.0
  O  O54  1  0.62490100  0.93433500  0.28188600  1.0
  O  O55  1  0.68433500  0.90244900  0.80943400  1.0
  O  O56  1  0.09301500  0.87490100  0.19056600  1.0
  O  O57  1  0.65244900  0.34301500  0.71811400  1.0
  O  O58  1  0.32698800  0.84324400  0.19173200  1.0
  O  O59  1  0.59324400  0.90151300  0.01625600  1.0
  O  O60  1  0.41954000  0.12248000  0.32274300  1.0
  O  O61  1  0.87248000  0.04973700  0.20294100  1.0
  O  O62  1  0.84679700  0.66954000  0.79705900  1.0
  O  O63  1  0.79973700  0.09679700  0.67725700  1.0
  O  O64  1  0.88588800  0.39934400  0.71695200  1.0
  O  O65  1  0.14934400  0.93239200  0.01345700  1.0
  O  O66  1  0.91893600  0.13588800  0.98654300  1.0
  O  O67  1  0.68239200  0.16893600  0.28304800  1.0
  O  O68  1  0.34507800  0.07014400  0.49143400  1.0
  O  O69  1  0.82014400  0.82871000  0.22506600  1.0
  O  O70  1  0.60364300  0.59507800  0.77493400  1.0
  O  O71  1  0.57871000  0.85364300  0.50856600  1.0
  O  O72  1  0.16612700  0.14594600  0.29282200  1.0
  O  O73  1  0.89594600  0.10312400  0.47981900  1.0
  O  O74  1  0.62330500  0.41612700  0.52018100  1.0
  O  O75  1  0.85312400  0.87330500  0.70717800  1.0
  O  O76  1  0.65151300  0.13525700  0.80826800  1.0
  O  O77  1  0.88525700  0.57698800  0.98374400  1.0