# generated using pymatgen
data_Ca3(NiN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63512600
_cell_length_b   9.61829200
_cell_length_c   8.82370100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3(NiN2)2
_chemical_formula_sum   'Ca12 Ni8 N16'
_cell_volume   478.24712947
_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  0.60655000  0.15473800  0.41369800  1.0
  Ca  Ca1  1  0.89345000  0.84526200  0.41369800  1.0
  Ca  Ca2  1  0.60655000  0.34526200  0.08630200  1.0
  Ca  Ca3  1  0.89345000  0.65473800  0.08630200  1.0
  Ca  Ca4  1  0.39345000  0.84526200  0.58630200  1.0
  Ca  Ca5  1  0.10655000  0.15473800  0.58630200  1.0
  Ca  Ca6  1  0.39345000  0.65473800  0.91369800  1.0
  Ca  Ca7  1  0.10655000  0.34526200  0.91369800  1.0
  Ca  Ca8  1  0.75000000  0.50000000  0.40092000  1.0
  Ca  Ca9  1  0.75000000  0.00000000  0.09908000  1.0
  Ca  Ca10  1  0.25000000  0.50000000  0.59908000  1.0
  Ca  Ca11  1  0.25000000  0.00000000  0.90092000  1.0
  Ni  Ni12  1  0.75000000  0.50000000  0.73179400  1.0
  Ni  Ni13  1  0.75000000  0.00000000  0.76820600  1.0
  Ni  Ni14  1  0.25000000  0.50000000  0.26820600  1.0
  Ni  Ni15  1  0.25000000  0.00000000  0.23179400  1.0
  Ni  Ni16  1  0.64552800  0.25000000  0.75000000  1.0
  Ni  Ni17  1  0.85447200  0.75000000  0.75000000  1.0
  Ni  Ni18  1  0.35447200  0.75000000  0.25000000  1.0
  Ni  Ni19  1  0.14552800  0.25000000  0.25000000  1.0
  N  N20  1  0.87959600  0.35353800  0.62290100  1.0
  N  N21  1  0.62040400  0.64646200  0.62290100  1.0
  N  N22  1  0.87959600  0.14646200  0.87709900  1.0
  N  N23  1  0.62040400  0.85353800  0.87709900  1.0
  N  N24  1  0.12040400  0.64646200  0.37709900  1.0
  N  N25  1  0.37959600  0.35353800  0.37709900  1.0
  N  N26  1  0.12040400  0.85353800  0.12290100  1.0
  N  N27  1  0.37959600  0.14646200  0.12290100  1.0
  N  N28  1  0.49090000  0.40961800  0.83031300  1.0
  N  N29  1  0.00910000  0.59038200  0.83031300  1.0
  N  N30  1  0.49090000  0.09038200  0.66968700  1.0
  N  N31  1  0.00910000  0.90961800  0.66968700  1.0
  N  N32  1  0.50910000  0.59038200  0.16968700  1.0
  N  N33  1  0.99090000  0.40961800  0.16968700  1.0
  N  N34  1  0.50910000  0.90961800  0.33031300  1.0
  N  N35  1  0.99090000  0.09038200  0.33031300  1.0