# generated using pymatgen
data_ScCu4Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94892344
_cell_length_b   4.94892414
_cell_length_c   4.94892335
_cell_angle_alpha   59.99999892
_cell_angle_beta   59.99999426
_cell_angle_gamma   60.00000083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu4Hg
_chemical_formula_sum   'Sc1 Cu4 Hg1'
_cell_volume   85.70718697
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.62492048  0.62492048  0.12523856  1.0
  Cu  Cu2  1  0.62492048  0.12523856  0.62492048  1.0
  Cu  Cu3  1  0.12523856  0.62492048  0.62492048  1.0
  Cu  Cu4  1  0.62492048  0.62492048  0.62492048  1.0
  Hg  Hg5  1  0.25000000  0.25000000  0.25000000  1.0