# generated using pymatgen
data_Ca5CoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84630900
_cell_length_b   7.38806200
_cell_length_c   5.89491400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5CoN4
_chemical_formula_sum   'Ca10 Co2 N8'
_cell_volume   341.72237202
_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  0.54905900  0.50515000  0.24548100  1.0
  Ca  Ca1  1  0.95094100  0.50515000  0.24548100  1.0
  Ca  Ca2  1  0.54905900  0.99485000  0.24548100  1.0
  Ca  Ca3  1  0.95094100  0.99485000  0.24548100  1.0
  Ca  Ca4  1  0.45094100  0.49485000  0.75451900  1.0
  Ca  Ca5  1  0.04905900  0.49485000  0.75451900  1.0
  Ca  Ca6  1  0.45094100  0.00515000  0.75451900  1.0
  Ca  Ca7  1  0.04905900  0.00515000  0.75451900  1.0
  Ca  Ca8  1  0.75000000  0.75000000  0.69423500  1.0
  Ca  Ca9  1  0.25000000  0.25000000  0.30576500  1.0
  Co  Co10  1  0.75000000  0.25000000  0.72674400  1.0
  Co  Co11  1  0.25000000  0.75000000  0.27325600  1.0
  N  N12  1  0.75000000  0.02183000  0.91238000  1.0
  N  N13  1  0.75000000  0.47817000  0.91238000  1.0
  N  N14  1  0.25000000  0.97817000  0.08762000  1.0
  N  N15  1  0.25000000  0.52183000  0.08762000  1.0
  N  N16  1  0.48941700  0.75000000  0.49273700  1.0
  N  N17  1  0.01058300  0.75000000  0.49273700  1.0
  N  N18  1  0.51058300  0.25000000  0.50726300  1.0
  N  N19  1  0.98941700  0.25000000  0.50726300  1.0