# generated using pymatgen
data_Ca11(TeN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.08362800
_cell_length_b   15.08362800
_cell_length_c   3.78488100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11(TeN5)2
_chemical_formula_sum   'Ca22 Te4 N20'
_cell_volume   861.12035595
_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  0.97778200  0.79348300  0.50000000  1.0
  Ca  Ca3  1  0.02221800  0.20651700  0.50000000  1.0
  Ca  Ca4  1  0.52221800  0.29348300  0.00000000  1.0
  Ca  Ca5  1  0.47778200  0.70651700  0.00000000  1.0
  Ca  Ca6  1  0.79348300  0.97778200  0.50000000  1.0
  Ca  Ca7  1  0.20651700  0.02221800  0.50000000  1.0
  Ca  Ca8  1  0.29348300  0.52221800  0.00000000  1.0
  Ca  Ca9  1  0.70651700  0.47778200  0.00000000  1.0
  Ca  Ca10  1  0.69018700  0.69018700  0.50000000  1.0
  Ca  Ca11  1  0.30981300  0.30981300  0.50000000  1.0
  Ca  Ca12  1  0.80981300  0.19018700  0.00000000  1.0
  Ca  Ca13  1  0.19018700  0.80981300  0.00000000  1.0
  Ca  Ca14  1  0.38823200  0.89931900  0.50000000  1.0
  Ca  Ca15  1  0.61176800  0.10068100  0.50000000  1.0
  Ca  Ca16  1  0.11176800  0.39931900  0.00000000  1.0
  Ca  Ca17  1  0.88823200  0.60068100  0.00000000  1.0
  Ca  Ca18  1  0.89931900  0.38823200  0.50000000  1.0
  Ca  Ca19  1  0.10068100  0.61176800  0.50000000  1.0
  Ca  Ca20  1  0.39931900  0.11176800  0.00000000  1.0
  Ca  Ca21  1  0.60068100  0.88823200  0.00000000  1.0
  Te  Te22  1  0.29819400  0.70180600  0.50000000  1.0
  Te  Te23  1  0.70180600  0.29819400  0.50000000  1.0
  Te  Te24  1  0.20180600  0.20180600  0.00000000  1.0
  Te  Te25  1  0.79819400  0.79819400  0.00000000  1.0
  N  N26  1  0.07115800  0.92884200  0.50000000  1.0
  N  N27  1  0.92884200  0.07115800  0.50000000  1.0
  N  N28  1  0.42884200  0.42884200  0.00000000  1.0
  N  N29  1  0.57115800  0.57115800  0.00000000  1.0
  N  N30  1  0.46877200  0.18536900  0.50000000  1.0
  N  N31  1  0.53122800  0.81463100  0.50000000  1.0
  N  N32  1  0.03122800  0.68536900  0.00000000  1.0
  N  N33  1  0.96877200  0.31463100  0.00000000  1.0
  N  N34  1  0.18536900  0.46877200  0.50000000  1.0
  N  N35  1  0.81463100  0.53122800  0.50000000  1.0
  N  N36  1  0.68536900  0.03122800  0.00000000  1.0
  N  N37  1  0.31463100  0.96877200  0.00000000  1.0
  N  N38  1  0.86868000  0.13132000  0.50000000  1.0
  N  N39  1  0.13132000  0.86868000  0.50000000  1.0
  N  N40  1  0.63132000  0.63132000  0.00000000  1.0
  N  N41  1  0.36868000  0.36868000  0.00000000  1.0
  N  N42  1  0.60692100  0.39307900  0.50000000  1.0
  N  N43  1  0.39307900  0.60692100  0.50000000  1.0
  N  N44  1  0.89307900  0.89307900  0.00000000  1.0
  N  N45  1  0.10692100  0.10692100  0.00000000  1.0