# generated using pymatgen
data_Ca11(ReN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.41228900
_cell_length_b   15.41228900
_cell_length_c   3.51120200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11(ReN5)2
_chemical_formula_sum   'Ca22 Re4 N20'
_cell_volume   834.04619075
_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  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca2  1  0.97564900  0.79829600  0.50000000  1.0
  Ca  Ca3  1  0.02435100  0.20170400  0.50000000  1.0
  Ca  Ca4  1  0.52435100  0.29829600  0.00000000  1.0
  Ca  Ca5  1  0.47564900  0.70170400  0.00000000  1.0
  Ca  Ca6  1  0.79829600  0.97564900  0.50000000  1.0
  Ca  Ca7  1  0.20170400  0.02435100  0.50000000  1.0
  Ca  Ca8  1  0.29829600  0.52435100  0.00000000  1.0
  Ca  Ca9  1  0.70170400  0.47564900  0.00000000  1.0
  Ca  Ca10  1  0.65558200  0.65558200  0.50000000  1.0
  Ca  Ca11  1  0.34441800  0.34441800  0.50000000  1.0
  Ca  Ca12  1  0.84441800  0.15558200  0.00000000  1.0
  Ca  Ca13  1  0.15558200  0.84441800  0.00000000  1.0
  Ca  Ca14  1  0.37558200  0.89284900  0.50000000  1.0
  Ca  Ca15  1  0.62441800  0.10715100  0.50000000  1.0
  Ca  Ca16  1  0.12441800  0.39284900  0.00000000  1.0
  Ca  Ca17  1  0.87558200  0.60715100  0.00000000  1.0
  Ca  Ca18  1  0.89284900  0.37558200  0.50000000  1.0
  Ca  Ca19  1  0.10715100  0.62441800  0.50000000  1.0
  Ca  Ca20  1  0.39284900  0.12441800  0.00000000  1.0
  Ca  Ca21  1  0.60715100  0.87558200  0.00000000  1.0
  Re  Re22  1  0.30373100  0.69626900  0.50000000  1.0
  Re  Re23  1  0.69626900  0.30373100  0.50000000  1.0
  Re  Re24  1  0.19626900  0.19626900  0.00000000  1.0
  Re  Re25  1  0.80373100  0.80373100  0.00000000  1.0
  N  N26  1  0.08034200  0.91965800  0.50000000  1.0
  N  N27  1  0.91965800  0.08034200  0.50000000  1.0
  N  N28  1  0.41965800  0.41965800  0.00000000  1.0
  N  N29  1  0.58034200  0.58034200  0.00000000  1.0
  N  N30  1  0.47983200  0.18654300  0.50000000  1.0
  N  N31  1  0.52016800  0.81345700  0.50000000  1.0
  N  N32  1  0.02016800  0.68654300  0.00000000  1.0
  N  N33  1  0.97983200  0.31345700  0.00000000  1.0
  N  N34  1  0.18654300  0.47983200  0.50000000  1.0
  N  N35  1  0.81345700  0.52016800  0.50000000  1.0
  N  N36  1  0.68654300  0.02016800  0.00000000  1.0
  N  N37  1  0.31345700  0.97983200  0.00000000  1.0
  N  N38  1  0.22039400  0.77960600  0.50000000  1.0
  N  N39  1  0.77960600  0.22039400  0.50000000  1.0
  N  N40  1  0.27960600  0.27960600  0.00000000  1.0
  N  N41  1  0.72039400  0.72039400  0.00000000  1.0
  N  N42  1  0.38841200  0.61158800  0.50000000  1.0
  N  N43  1  0.61158800  0.38841200  0.50000000  1.0
  N  N44  1  0.11158800  0.11158800  0.00000000  1.0
  N  N45  1  0.88841200  0.88841200  0.00000000  1.0