# generated using pymatgen
data_Ca11N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.94902200
_cell_length_b   13.94902200
_cell_length_c   3.65894500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca11N8
_chemical_formula_sum   'Ca22 N16'
_cell_volume   711.94000916
_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  0.11935500  0.62248500  0.00000000  1.0
  Ca  Ca1  1  0.67181900  0.67181900  0.00000000  1.0
  Ca  Ca2  1  0.78887600  0.96974100  0.00000000  1.0
  Ca  Ca3  1  0.21112400  0.03025900  0.00000000  1.0
  Ca  Ca4  1  0.17181900  0.82818100  0.50000000  1.0
  Ca  Ca5  1  0.61935500  0.87751500  0.50000000  1.0
  Ca  Ca6  1  0.38064500  0.12248500  0.50000000  1.0
  Ca  Ca7  1  0.88064500  0.37751500  0.00000000  1.0
  Ca  Ca8  1  0.46974100  0.71112400  0.50000000  1.0
  Ca  Ca9  1  0.53025900  0.28887600  0.50000000  1.0
  Ca  Ca10  1  0.32818100  0.32818100  0.00000000  1.0
  Ca  Ca11  1  0.96974100  0.78887600  0.00000000  1.0
  Ca  Ca12  1  0.71112400  0.46974100  0.50000000  1.0
  Ca  Ca13  1  0.12248500  0.38064500  0.50000000  1.0
  Ca  Ca14  1  0.87751500  0.61935500  0.50000000  1.0
  Ca  Ca15  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca16  1  0.62248500  0.11935500  0.00000000  1.0
  Ca  Ca17  1  0.03025900  0.21112400  0.00000000  1.0
  Ca  Ca18  1  0.37751500  0.88064500  0.00000000  1.0
  Ca  Ca19  1  0.28887600  0.53025900  0.50000000  1.0
  Ca  Ca20  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca21  1  0.82818100  0.17181900  0.50000000  1.0
  N  N22  1  0.41333400  0.41333400  0.50000000  1.0
  N  N23  1  0.20348300  0.20348300  0.00000000  1.0
  N  N24  1  0.69245900  0.03176600  0.50000000  1.0
  N  N25  1  0.96823400  0.30754100  0.50000000  1.0
  N  N26  1  0.29651700  0.70348300  0.50000000  1.0
  N  N27  1  0.91333400  0.08666600  0.00000000  1.0
  N  N28  1  0.53176600  0.80754100  0.00000000  1.0
  N  N29  1  0.70348300  0.29651700  0.50000000  1.0
  N  N30  1  0.58666600  0.58666600  0.50000000  1.0
  N  N31  1  0.08666600  0.91333400  0.00000000  1.0
  N  N32  1  0.80754100  0.53176600  0.00000000  1.0
  N  N33  1  0.19245900  0.46823400  0.00000000  1.0
  N  N34  1  0.79651700  0.79651700  0.00000000  1.0
  N  N35  1  0.46823400  0.19245900  0.00000000  1.0
  N  N36  1  0.30754100  0.96823400  0.50000000  1.0
  N  N37  1  0.03176600  0.69245900  0.50000000  1.0