# generated using pymatgen
data_Ca5(CoN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05251814
_cell_length_b   8.05251814
_cell_length_c   12.05004651
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(CoN2)2
_chemical_formula_sum   'Ca20 Co8 N16'
_cell_volume   781.36174901
_cell_formula_units_Z   4
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  0.50000000  -0.00000000  0.64947103  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.35052897  1.0
  Ca  Ca2  1  0.50000000  -0.00000000  0.14947103  1.0
  Ca  Ca3  1  0.67357246  0.38268321  0.59520206  1.0
  Ca  Ca4  1  0.11731679  0.82642754  0.09520206  1.0
  Ca  Ca5  1  0.38268321  0.67357246  0.90479794  1.0
  Ca  Ca6  1  0.32642754  0.38268321  0.09520206  1.0
  Ca  Ca7  1  0.82642754  0.88268321  0.90479794  1.0
  Ca  Ca8  1  0.88268321  0.82642754  0.59520206  1.0
  Ca  Ca9  1  0.61731679  0.32642754  0.90479794  1.0
  Ca  Ca10  1  0.32642754  0.61731679  0.59520206  1.0
  Ca  Ca11  1  0.17357246  0.11731679  0.90479794  1.0
  Ca  Ca12  1  0.00000000  0.50000000  0.85052897  1.0
  Ca  Ca13  1  0.82642754  0.11731679  0.40479794  1.0
  Ca  Ca14  1  0.17357246  0.88268321  0.40479794  1.0
  Ca  Ca15  1  0.88268321  0.17357246  0.09520206  1.0
  Ca  Ca16  1  0.67357246  0.61731679  0.09520206  1.0
  Ca  Ca17  1  0.38268321  0.32642754  0.40479794  1.0
  Ca  Ca18  1  0.11731679  0.17357246  0.59520206  1.0
  Ca  Ca19  1  0.61731679  0.67357246  0.40479794  1.0
  Co  Co20  1  0.65864442  0.34135558  0.25000000  1.0
  Co  Co21  1  0.84135558  0.15864442  0.75000000  1.0
  Co  Co22  1  0.15864442  0.15864442  0.25000000  1.0
  Co  Co23  1  0.65864442  0.65864442  0.75000000  1.0
  Co  Co24  1  0.34135558  0.65864442  0.25000000  1.0
  Co  Co25  1  0.34135558  0.34135558  0.75000000  1.0
  Co  Co26  1  0.15864442  0.84135558  0.75000000  1.0
  Co  Co27  1  0.84135558  0.84135558  0.25000000  1.0
  N  N28  1  0.38959262  0.29888560  0.60729463  1.0
  N  N29  1  0.70111440  0.38959262  0.39270537  1.0
  N  N30  1  0.70111440  0.61040738  0.89270537  1.0
  N  N31  1  0.79888560  0.88959262  0.10729463  1.0
  N  N32  1  0.29888560  0.38959262  0.89270537  1.0
  N  N33  1  0.20111440  0.11040738  0.10729463  1.0
  N  N34  1  0.88959262  0.79888560  0.39270537  1.0
  N  N35  1  0.88959262  0.20111440  0.89270537  1.0
  N  N36  1  0.38959262  0.70111440  0.10729463  1.0
  N  N37  1  0.61040738  0.70111440  0.60729463  1.0
  N  N38  1  0.29888560  0.61040738  0.39270537  1.0
  N  N39  1  0.11040738  0.79888560  0.89270537  1.0
  N  N40  1  0.20111440  0.88959262  0.60729463  1.0
  N  N41  1  0.11040738  0.20111440  0.39270537  1.0
  N  N42  1  0.79888560  0.11040738  0.60729463  1.0
  N  N43  1  0.61040738  0.29888560  0.10729463  1.0