# generated using pymatgen
data_Ca2ZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57963046
_cell_length_b   3.57963100
_cell_length_c   6.76750743
_cell_angle_alpha   105.33557503
_cell_angle_beta   105.33557372
_cell_angle_gamma   89.99999943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnN2
_chemical_formula_sum   'Ca2 Zn1 N2'
_cell_volume   80.42332148
_cell_formula_units_Z   1
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  0.66285743  0.66285743  0.32571485  1.0
  Ca  Ca1  1  0.33714257  0.33714257  0.67428515  1.0
  Zn  Zn2  1  -0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.85432864  0.85432864  0.70865829  1.0
  N  N4  1  0.14567136  0.14567136  0.29134171  1.0