# generated using pymatgen
data_Ca4Si6NiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30414613
_cell_length_b   8.13998029
_cell_length_c   5.98076262
_cell_angle_alpha   70.14482482
_cell_angle_beta   67.21434556
_cell_angle_gamma   42.64081457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Si6NiHg
_chemical_formula_sum   'Ca4 Si6 Ni1 Hg1'
_cell_volume   251.51100650
_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  0.74554916  0.74554916  0.75445084  1.0
  Ca  Ca1  1  0.75515356  0.25346182  0.74653818  1.0
  Ca  Ca2  1  0.24554916  0.24554916  0.25445084  1.0
  Ca  Ca3  1  0.25346182  0.75515356  0.24484644  1.0
  Si  Si4  1  0.82447994  0.34939558  0.17552006  1.0
  Si  Si5  1  0.68611648  0.15673148  0.31388352  1.0
  Si  Si6  1  0.15673148  0.68611648  0.84326852  1.0
  Si  Si7  1  0.34939558  0.82447994  0.65060442  1.0
  Si  Si8  1  0.15773209  0.15773209  0.84226791  1.0
  Si  Si9  1  0.82515385  0.82515385  0.17484615  1.0
  Ni  Ni10  1  0.66616859  0.66616859  0.33383141  1.0
  Hg  Hg11  1  0.33450829  0.33450829  0.66549171  1.0