# generated using pymatgen
data_Zr5Hg3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71102256
_cell_length_b   8.71102223
_cell_length_c   5.46963184
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999382
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Hg3B
_chemical_formula_sum   'Zr10 Hg6 B2'
_cell_volume   359.44050370
_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
  Zr  Zr0  1  0.66666700  0.33333300  0.00000000  1.0
  Zr  Zr1  1  0.33333300  0.66666700  0.00000000  1.0
  Zr  Zr2  1  0.33333300  0.66666700  0.50000000  1.0
  Zr  Zr3  1  0.66666700  0.33333300  0.50000000  1.0
  Zr  Zr4  1  0.77332412  0.77332412  0.75000000  1.0
  Zr  Zr5  1  0.22667588  0.00000000  0.75000000  1.0
  Zr  Zr6  1  0.00000000  0.22667588  0.75000000  1.0
  Zr  Zr7  1  0.22667588  0.22667588  0.25000000  1.0
  Zr  Zr8  1  0.77332412  1.00000000  0.25000000  1.0
  Zr  Zr9  1  1.00000000  0.77332412  0.25000000  1.0
  Hg  Hg10  1  0.40003924  0.40003924  0.75000000  1.0
  Hg  Hg11  1  0.59996076  0.00000000  0.75000000  1.0
  Hg  Hg12  1  0.00000000  0.59996076  0.75000000  1.0
  Hg  Hg13  1  0.59996076  0.59996076  0.25000000  1.0
  Hg  Hg14  1  0.40003924  1.00000000  0.25000000  1.0
  Hg  Hg15  1  1.00000000  0.40003924  0.25000000  1.0
  B  B16  1  0.00000000  0.00000000  0.00000000  1.0
  B  B17  1  0.00000000  0.00000000  0.50000000  1.0