# generated using pymatgen
data_ZrAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05231400
_cell_length_b   5.29826600
_cell_length_c   15.00551300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAu4
_chemical_formula_sum   'Zr4 Au16'
_cell_volume   401.67512707
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.75000000  0.73300400  0.88331800  1.0
  Zr  Zr1  1  0.25000000  0.76699600  0.38331800  1.0
  Zr  Zr2  1  0.75000000  0.23300400  0.61668200  1.0
  Zr  Zr3  1  0.25000000  0.26699600  0.11668200  1.0
  Au  Au4  1  0.25000000  0.36549200  0.72675100  1.0
  Au  Au5  1  0.75000000  0.13450800  0.22675100  1.0
  Au  Au6  1  0.25000000  0.46054000  0.54096800  1.0
  Au  Au7  1  0.25000000  0.45754800  0.92874400  1.0
  Au  Au8  1  0.25000000  0.86549200  0.77324900  1.0
  Au  Au9  1  0.75000000  0.03946000  0.04096800  1.0
  Au  Au10  1  0.25000000  0.96054000  0.95903200  1.0
  Au  Au11  1  0.75000000  0.54245200  0.07125600  1.0
  Au  Au12  1  0.25000000  0.95754800  0.57125600  1.0
  Au  Au13  1  0.75000000  0.23395900  0.80688000  1.0
  Au  Au14  1  0.25000000  0.76604100  0.19312000  1.0
  Au  Au15  1  0.75000000  0.63450800  0.27324900  1.0
  Au  Au16  1  0.75000000  0.04245200  0.42874400  1.0
  Au  Au17  1  0.25000000  0.26604100  0.30688000  1.0
  Au  Au18  1  0.75000000  0.53946000  0.45903200  1.0
  Au  Au19  1  0.75000000  0.73395900  0.69312000  1.0