# generated using pymatgen
data_Ca4CuSi6Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32695824
_cell_length_b   8.17149104
_cell_length_c   5.99357360
_cell_angle_alpha   70.08953486
_cell_angle_beta   67.31983179
_cell_angle_gamma   42.59061775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4CuSi6Hg
_chemical_formula_sum   'Ca4 Cu1 Si6 Hg1'
_cell_volume   253.60387441
_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
  Ca  Ca0  1  0.74731969  0.74731969  0.75268031  1.0
  Ca  Ca1  1  0.75558464  0.24881750  0.75118250  1.0
  Ca  Ca2  1  0.24731969  0.24731969  0.25268031  1.0
  Ca  Ca3  1  0.24881750  0.75558464  0.24441536  1.0
  Cu  Cu4  1  0.66683490  0.66683490  0.33316510  1.0
  Si  Si5  1  0.82774247  0.34243883  0.17225753  1.0
  Si  Si6  1  0.68240105  0.15934229  0.31759895  1.0
  Si  Si7  1  0.15934229  0.68240105  0.84065771  1.0
  Si  Si8  1  0.34243883  0.82774247  0.65756117  1.0
  Si  Si9  1  0.15818779  0.15818779  0.84181221  1.0
  Si  Si10  1  0.83005697  0.83005697  0.16994303  1.0
  Hg  Hg11  1  0.33395518  0.33395518  0.66604482  1.0