# generated using pymatgen
data_Ca3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57503857
_cell_length_b   6.57503757
_cell_length_c   6.57503773
_cell_angle_alpha   56.04671973
_cell_angle_beta   56.04673021
_cell_angle_gamma   56.04673457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3N2
_chemical_formula_sum   'Ca6 N4'
_cell_volume   182.58832953
_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  0.75000000  0.45067741  0.04932259  1.0
  Ca  Ca1  1  0.04932259  0.75000000  0.45067741  1.0
  Ca  Ca2  1  0.45067741  0.04932259  0.75000000  1.0
  Ca  Ca3  1  0.95067741  0.25000000  0.54932259  1.0
  Ca  Ca4  1  0.25000000  0.54932259  0.95067741  1.0
  Ca  Ca5  1  0.54932259  0.95067741  0.25000000  1.0
  N  N6  1  0.85365565  0.85365565  0.85365565  1.0
  N  N7  1  0.64634435  0.64634435  0.64634435  1.0
  N  N8  1  0.14634535  0.14634535  0.14634535  1.0
  N  N9  1  0.35365565  0.35365565  0.35365565  1.0