# generated using pymatgen
data_Ca4RuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07301038
_cell_length_b   6.05237532
_cell_length_c   8.70994775
_cell_angle_alpha   68.92755769
_cell_angle_beta   78.27185333
_cell_angle_gamma   69.37874362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4RuN4
_chemical_formula_sum   'Ca8 Ru2 N8'
_cell_volume   278.51601347
_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  0.78324300  0.58036500  0.15450600  1.0
  Ca  Ca1  1  0.21675700  0.41963500  0.84549400  1.0
  Ca  Ca2  1  0.72742400  0.21019800  0.98117600  1.0
  Ca  Ca3  1  0.27257600  0.78980200  0.01882400  1.0
  Ca  Ca4  1  0.73393900  0.49071700  0.56882000  1.0
  Ca  Ca5  1  0.26606100  0.50928300  0.43118000  1.0
  Ca  Ca6  1  0.20960800  0.95112600  0.62072400  1.0
  Ca  Ca7  1  0.79039200  0.04887400  0.37927600  1.0
  Ru  Ru8  1  0.70094000  0.85797400  0.75675200  1.0
  Ru  Ru9  1  0.29906000  0.14202600  0.24324800  1.0
  N  N10  1  0.98205300  0.68483500  0.61677700  1.0
  N  N11  1  0.01794700  0.31516500  0.38322300  1.0
  N  N12  1  0.94483700  0.84129600  0.89010300  1.0
  N  N13  1  0.05516300  0.15870400  0.10989700  1.0
  N  N14  1  0.52119100  0.62157800  0.79763600  1.0
  N  N15  1  0.47880900  0.37842200  0.20236400  1.0
  N  N16  1  0.50367100  0.83312700  0.33838200  1.0
  N  N17  1  0.49632900  0.16687300  0.66161800  1.0