# generated using pymatgen
data_Ca2AuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55124595
_cell_length_b   4.92682677
_cell_length_c   9.22387117
_cell_angle_alpha   90.00000000
_cell_angle_beta   101.09889994
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AuN
_chemical_formula_sum   'Ca4 Au2 N2'
_cell_volume   158.36582255
_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  0.60393357  0.25000000  0.20786915  1.0
  Ca  Ca1  1  0.39606643  0.75000000  0.79213085  1.0
  Ca  Ca2  1  0.78406894  0.25000000  0.56813788  1.0
  Ca  Ca3  1  0.21593106  0.75000000  0.43186212  1.0
  Au  Au4  1  0.04033682  0.75000000  0.08067364  1.0
  Au  Au5  1  0.95966318  0.25000000  0.91932636  1.0
  N  N6  1  0.80690136  0.75000000  0.61380373  1.0
  N  N7  1  0.19309864  0.25000000  0.38619627  1.0