# generated using pymatgen
data_Ca2CoN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93585899
_cell_length_b   5.93585899
_cell_length_c   6.69322477
_cell_angle_alpha   62.01914627
_cell_angle_beta   62.01914627
_cell_angle_gamma   49.16168426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CoN2
_chemical_formula_sum   'Ca4 Co2 N4'
_cell_volume   152.84018598
_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  0.32251129  0.32251129  0.59365237  1.0
  Ca  Ca1  1  0.67748871  0.67748871  0.40634763  1.0
  Ca  Ca2  1  0.95993911  0.95993911  0.77115991  1.0
  Ca  Ca3  1  0.04006089  0.04006089  0.22884009  1.0
  Co  Co4  1  0.63316975  0.63316975  0.88042051  1.0
  Co  Co5  1  0.36683025  0.36683025  0.11957949  1.0
  N  N6  1  0.80980940  0.80980940  0.61304486  1.0
  N  N7  1  0.19019060  0.19019060  0.38695514  1.0
  N  N8  1  0.52156932  0.52156932  0.19809001  1.0
  N  N9  1  0.47843068  0.47843068  0.80190999  1.0