# generated using pymatgen
data_Ca3CoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16589019
_cell_length_b   7.16589019
_cell_length_c   4.97176100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3CoN3
_chemical_formula_sum   'Ca6 Co2 N6'
_cell_volume   221.09614218
_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  0.91514800  0.63836500  0.25000000  1.0
  Ca  Ca1  1  0.72321700  0.08485200  0.25000000  1.0
  Ca  Ca2  1  0.36163500  0.27678300  0.25000000  1.0
  Ca  Ca3  1  0.08485200  0.36163500  0.75000000  1.0
  Ca  Ca4  1  0.27678300  0.91514800  0.75000000  1.0
  Ca  Ca5  1  0.63836500  0.72321700  0.75000000  1.0
  Co  Co6  1  0.66666700  0.33333300  0.75000000  1.0
  Co  Co7  1  0.33333300  0.66666700  0.25000000  1.0
  N  N8  1  0.89604200  0.59502000  0.75000000  1.0
  N  N9  1  0.69897800  0.10395800  0.75000000  1.0
  N  N10  1  0.40498000  0.30102200  0.75000000  1.0
  N  N11  1  0.10395800  0.40498000  0.25000000  1.0
  N  N12  1  0.30102200  0.89604200  0.25000000  1.0
  N  N13  1  0.59502000  0.69897800  0.25000000  1.0