# generated using pymatgen
data_CaGaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57006310
_cell_length_b   3.57006310
_cell_length_c   7.51492907
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaN
_chemical_formula_sum   'Ca2 Ga2 N2'
_cell_volume   95.78040527
_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  0.25000000  0.25000000  0.64921437  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.35078563  1.0
  Ga  Ga2  1  0.75000000  0.75000000  0.91868944  1.0
  Ga  Ga3  1  0.25000000  0.25000000  0.08131056  1.0
  N  N4  1  0.75000000  0.75000000  0.67284021  1.0
  N  N5  1  0.25000000  0.25000000  0.32715979  1.0