# generated using pymatgen
data_Ca(ReO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.54811623
_cell_length_b   10.54811623
_cell_length_c   14.32333253
_cell_angle_alpha   66.84608396
_cell_angle_beta   66.84608396
_cell_angle_gamma   40.09590975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(ReO5)2
_chemical_formula_sum   'Ca4 Re8 O40'
_cell_volume   932.18368931
_cell_formula_units_Z   4
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  0.73382600  0.98621600  0.44660200  1.0
  Ca  Ca1  1  0.01378400  0.26617400  0.05339800  1.0
  Ca  Ca2  1  0.26617400  0.01378400  0.55339800  1.0
  Ca  Ca3  1  0.98621600  0.73382600  0.94660200  1.0
  Re  Re4  1  0.81867900  0.53256100  0.42267800  1.0
  Re  Re5  1  0.46743900  0.18132100  0.07732200  1.0
  Re  Re6  1  0.18132100  0.46743900  0.57732200  1.0
  Re  Re7  1  0.53256100  0.81867900  0.92267800  1.0
  Re  Re8  1  0.81653900  0.03612200  0.68293900  1.0
  Re  Re9  1  0.96387800  0.18346100  0.81706100  1.0
  Re  Re10  1  0.18346100  0.96387800  0.31706100  1.0
  Re  Re11  1  0.03612200  0.81653900  0.18293900  1.0
  O  O12  1  0.75111300  0.40504200  0.76427600  1.0
  O  O13  1  0.59495800  0.24888700  0.73572400  1.0
  O  O14  1  0.24888700  0.59495800  0.23572400  1.0
  O  O15  1  0.40504200  0.75111300  0.26427600  1.0
  O  O16  1  0.00943100  0.63902700  0.49054900  1.0
  O  O17  1  0.36097300  0.99056900  0.00945100  1.0
  O  O18  1  0.99056900  0.36097300  0.50945100  1.0
  O  O19  1  0.63902700  0.00943100  0.99054900  1.0
  O  O20  1  0.94342500  0.53351200  0.30033700  1.0
  O  O21  1  0.46648800  0.05657500  0.19966300  1.0
  O  O22  1  0.05657500  0.46648800  0.69966300  1.0
  O  O23  1  0.53351200  0.94342500  0.80033700  1.0
  O  O24  1  0.13192100  0.42209500  0.90518600  1.0
  O  O25  1  0.57790500  0.86807900  0.59481400  1.0
  O  O26  1  0.86807900  0.57790500  0.09481400  1.0
  O  O27  1  0.42209500  0.13192100  0.40518600  1.0
  O  O28  1  0.22136900  0.38160300  0.04070500  1.0
  O  O29  1  0.61839700  0.77863100  0.45929500  1.0
  O  O30  1  0.77863100  0.61839700  0.95929500  1.0
  O  O31  1  0.38160300  0.22136900  0.54070500  1.0
  O  O32  1  0.08432600  0.17288300  0.21960800  1.0
  O  O33  1  0.82711700  0.91567400  0.28039200  1.0
  O  O34  1  0.91567400  0.82711700  0.78039200  1.0
  O  O35  1  0.17288300  0.08432600  0.71960800  1.0
  O  O36  1  0.98848200  0.04926200  0.63026700  1.0
  O  O37  1  0.95073800  0.01151800  0.86973300  1.0
  O  O38  1  0.01151800  0.95073800  0.36973300  1.0
  O  O39  1  0.04926200  0.98848200  0.13026700  1.0
  O  O40  1  0.27733400  0.54630900  0.57680400  1.0
  O  O41  1  0.45369100  0.72266700  0.92319600  1.0
  O  O42  1  0.72266700  0.45369100  0.42319600  1.0
  O  O43  1  0.54630900  0.27733400  0.07680400  1.0
  O  O44  1  0.34725400  0.54428500  0.88709400  1.0
  O  O45  1  0.45571500  0.65274600  0.61290600  1.0
  O  O46  1  0.65274600  0.45571500  0.11290600  1.0
  O  O47  1  0.54428500  0.34725400  0.38709400  1.0
  O  O48  1  0.98481800  0.22877200  0.91354700  1.0
  O  O49  1  0.77122800  0.01518200  0.58645300  1.0
  O  O50  1  0.01518200  0.77122800  0.08645300  1.0
  O  O51  1  0.22877200  0.98481800  0.41354700  1.0