# generated using pymatgen
data_Sr6CaAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.95403624
_cell_length_b   10.95403522
_cell_length_c   7.18834227
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000006
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr6CaAu3
_chemical_formula_sum   'Sr12 Ca2 Au6'
_cell_volume   746.97778384
_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
  Sr  Sr0  1  0.12533492  0.87466508  0.24540114  1.0
  Sr  Sr1  1  0.25066884  0.12533492  0.74540114  1.0
  Sr  Sr2  1  0.87466508  0.74933116  0.74540114  1.0
  Sr  Sr3  1  0.12533492  0.25066884  0.24540114  1.0
  Sr  Sr4  1  0.74933116  0.87466508  0.24540114  1.0
  Sr  Sr5  1  0.87466508  0.12533492  0.74540114  1.0
  Sr  Sr6  1  0.54085498  0.45914502  0.06508407  1.0
  Sr  Sr7  1  0.08171097  0.54085498  0.56508407  1.0
  Sr  Sr8  1  0.45914502  0.91828903  0.56508407  1.0
  Sr  Sr9  1  0.54085498  0.08171097  0.06508407  1.0
  Sr  Sr10  1  0.91828903  0.45914502  0.06508407  1.0
  Sr  Sr11  1  0.45914502  0.54085498  0.56508407  1.0
  Ca  Ca12  1  0.33333300  0.66666700  0.03583310  1.0
  Ca  Ca13  1  0.66666700  0.33333300  0.53583310  1.0
  Au  Au14  1  0.80836787  0.19163213  0.33957042  1.0
  Au  Au15  1  0.61673774  0.80836787  0.83957042  1.0
  Au  Au16  1  0.19163213  0.38326226  0.83957042  1.0
  Au  Au17  1  0.80836787  0.61673774  0.33957042  1.0
  Au  Au18  1  0.38326226  0.19163213  0.33957042  1.0
  Au  Au19  1  0.19163213  0.80836787  0.83957042  1.0