# generated using pymatgen
data_UPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79871005
_cell_length_b   5.79867016
_cell_length_c   4.90437701
_cell_angle_alpha   89.99997960
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00018198
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UPt3
_chemical_formula_sum   'U2 Pt6'
_cell_volume   142.81488759
_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
  U  U0  1  0.33333739  0.66667379  0.25000000  1.0
  U  U1  1  0.66666788  0.33334076  0.75000000  1.0
  Pt  Pt2  1  0.83746564  0.67493328  0.25000000  1.0
  Pt  Pt3  1  0.16256270  0.83743173  0.75000000  1.0
  Pt  Pt4  1  0.67486503  0.83742773  0.75000000  1.0
  Pt  Pt5  1  0.32506839  0.16253332  0.25000000  1.0
  Pt  Pt6  1  0.83746492  0.16253232  0.25000000  1.0
  Pt  Pt7  1  0.16256704  0.32513109  0.75000000  1.0