# generated using pymatgen
data_Ca3Co3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53545534
_cell_length_b   6.75346739
_cell_length_c   8.26242537
_cell_angle_alpha   108.91171376
_cell_angle_beta   104.26094724
_cell_angle_gamma   95.34203303
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Co3N5
_chemical_formula_sum   'Ca6 Co6 N10'
_cell_volume   278.11679352
_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  0.81726489  0.41088728  0.61114477  1.0
  Ca  Ca1  1  0.18273511  0.58911272  0.38885523  1.0
  Ca  Ca2  1  0.65822815  0.86700705  0.86993982  1.0
  Ca  Ca3  1  0.34177185  0.13299295  0.13006018  1.0
  Ca  Ca4  1  0.65888759  0.66724690  0.20135433  1.0
  Ca  Ca5  1  0.34111241  0.33275310  0.79864567  1.0
  Co  Co6  1  0.91358130  0.32070535  0.97413543  1.0
  Co  Co7  1  0.08641870  0.67929465  0.02586457  1.0
  Co  Co8  1  0.68651751  0.94779964  0.56218285  1.0
  Co  Co9  1  0.31348249  0.05220036  0.43781715  1.0
  Co  Co10  1  0.10364806  0.88270097  0.71282717  1.0
  Co  Co11  1  0.89635194  0.11729903  0.28717283  1.0
  N  N12  1  0.93408541  0.11237134  0.77658066  1.0
  N  N13  1  0.06591459  0.88762866  0.22341934  1.0
  N  N14  1  0.82011789  0.69935727  0.51624450  1.0
  N  N15  1  0.17988211  0.30064273  0.48375550  1.0
  N  N16  1  0.74849874  0.53331601  0.90444090  1.0
  N  N17  1  0.25150126  0.46668399  0.09555910  1.0
  N  N18  1  0.37145900  0.94861707  0.62347246  1.0
  N  N19  1  0.62854100  0.05138293  0.37652754  1.0
  N  N20  1  0.22532904  0.76906546  0.88145526  1.0
  N  N21  1  0.77467096  0.23093454  0.11854474  1.0