# generated using pymatgen
data_Ca3GaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17261292
_cell_length_b   7.17261664
_cell_length_c   5.06491081
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00015999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3GaN3
_chemical_formula_sum   'Ca6 Ga2 N6'
_cell_volume   225.66112403
_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  0.93070579  0.64847149  0.25000000  1.0
  Ca  Ca1  1  0.71776373  0.06929309  0.25000000  1.0
  Ca  Ca2  1  0.35152863  0.28223312  0.25000000  1.0
  Ca  Ca3  1  0.06929421  0.35152851  0.75000000  1.0
  Ca  Ca4  1  0.28223627  0.93070591  0.75000000  1.0
  Ca  Ca5  1  0.64847237  0.71776688  0.75000000  1.0
  Ga  Ga6  1  0.66666826  0.33333559  0.75000000  1.0
  Ga  Ga7  1  0.33333174  0.66666441  0.25000000  1.0
  N  N8  1  0.91707995  0.61024694  0.75000000  1.0
  N  N9  1  0.69316678  0.08292194  0.75000000  1.0
  N  N10  1  0.38975418  0.30683351  0.75000000  1.0
  N  N11  1  0.08292005  0.38975306  0.25000000  1.0
  N  N12  1  0.30683322  0.91707806  0.25000000  1.0
  N  N13  1  0.61024582  0.69316649  0.25000000  1.0