# generated using pymatgen
data_Ca11(OsN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.53079300
_cell_length_b   15.53079300
_cell_length_c   3.53965000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11(OsN5)2
_chemical_formula_sum   'Ca22 Os4 N20'
_cell_volume   853.78315854
_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  0.00437600  0.77603300  0.50000000  1.0
  Ca  Ca3  1  0.99562400  0.22396700  0.50000000  1.0
  Ca  Ca4  1  0.49562400  0.27603300  0.00000000  1.0
  Ca  Ca5  1  0.50437600  0.72396700  0.00000000  1.0
  Ca  Ca6  1  0.77603300  0.00437600  0.50000000  1.0
  Ca  Ca7  1  0.22396700  0.99562400  0.50000000  1.0
  Ca  Ca8  1  0.27603300  0.49562400  0.00000000  1.0
  Ca  Ca9  1  0.72396700  0.50437600  0.00000000  1.0
  Ca  Ca10  1  0.70846200  0.70846200  0.50000000  1.0
  Ca  Ca11  1  0.29153800  0.29153800  0.50000000  1.0
  Ca  Ca12  1  0.79153800  0.20846200  0.00000000  1.0
  Ca  Ca13  1  0.20846200  0.79153800  0.00000000  1.0
  Ca  Ca14  1  0.39826500  0.88336500  0.50000000  1.0
  Ca  Ca15  1  0.60173500  0.11663500  0.50000000  1.0
  Ca  Ca16  1  0.10173500  0.38336500  0.00000000  1.0
  Ca  Ca17  1  0.89826500  0.61663500  0.00000000  1.0
  Ca  Ca18  1  0.88336500  0.39826500  0.50000000  1.0
  Ca  Ca19  1  0.11663500  0.60173500  0.50000000  1.0
  Ca  Ca20  1  0.38336500  0.10173500  0.00000000  1.0
  Ca  Ca21  1  0.61663500  0.89826500  0.00000000  1.0
  Os  Os22  1  0.35422300  0.64577700  0.50000000  1.0
  Os  Os23  1  0.64577700  0.35422300  0.50000000  1.0
  Os  Os24  1  0.14577700  0.14577700  0.00000000  1.0
  Os  Os25  1  0.85422300  0.85422300  0.00000000  1.0
  N  N26  1  0.13426300  0.86573700  0.50000000  1.0
  N  N27  1  0.86573700  0.13426300  0.50000000  1.0
  N  N28  1  0.36573700  0.36573700  0.00000000  1.0
  N  N29  1  0.63426300  0.63426300  0.00000000  1.0
  N  N30  1  0.45239700  0.17566700  0.50000000  1.0
  N  N31  1  0.54760300  0.82433300  0.50000000  1.0
  N  N32  1  0.04760300  0.67566700  0.00000000  1.0
  N  N33  1  0.95239700  0.32433300  0.00000000  1.0
  N  N34  1  0.17566700  0.45239700  0.50000000  1.0
  N  N35  1  0.82433300  0.54760300  0.50000000  1.0
  N  N36  1  0.67566700  0.04760300  0.00000000  1.0
  N  N37  1  0.32433300  0.95239700  0.00000000  1.0
  N  N38  1  0.27506700  0.72493300  0.50000000  1.0
  N  N39  1  0.72493300  0.27506700  0.50000000  1.0
  N  N40  1  0.22493300  0.22493300  0.00000000  1.0
  N  N41  1  0.77506700  0.77506700  0.00000000  1.0
  N  N42  1  0.07659100  0.92340900  0.50000000  1.0
  N  N43  1  0.92340900  0.07659100  0.50000000  1.0
  N  N44  1  0.42340900  0.42340900  0.00000000  1.0
  N  N45  1  0.57659100  0.57659100  0.00000000  1.0