# generated using pymatgen
data_Ca2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94062766
_cell_length_b   5.94062766
_cell_length_c   6.75629514
_cell_angle_alpha   61.06334675
_cell_angle_beta   61.06334675
_cell_angle_gamma   49.45761561
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NiN2
_chemical_formula_sum   'Ca4 Ni2 N4'
_cell_volume   153.34637340
_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  0.32168100  0.32168100  0.59626400  1.0
  Ca  Ca1  1  0.67831900  0.67831900  0.40373600  1.0
  Ca  Ca2  1  0.96032400  0.96032400  0.76655000  1.0
  Ca  Ca3  1  0.03967600  0.03967600  0.23345000  1.0
  Ni  Ni4  1  0.62647400  0.62647400  0.87595500  1.0
  Ni  Ni5  1  0.37352600  0.37352600  0.12404500  1.0
  N  N6  1  0.81500100  0.81500100  0.60972600  1.0
  N  N7  1  0.18499900  0.18499900  0.39027400  1.0
  N  N8  1  0.52762800  0.52762800  0.19667900  1.0
  N  N9  1  0.47237200  0.47237200  0.80332100  1.0