# generated using pymatgen
data_CaTm7Hg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01048845
_cell_length_b   6.92607880
_cell_length_c   9.09767268
_cell_angle_alpha   90.31677226
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm7Hg4
_chemical_formula_sum   'Ca1 Tm7 Hg4'
_cell_volume   315.71205422
_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  0.75000000  0.33073518  0.92313021  1.0
  Tm  Tm1  1  0.25000000  0.01500070  0.80781825  1.0
  Tm  Tm2  1  0.25000000  0.51701311  0.68709051  1.0
  Tm  Tm3  1  0.75000000  0.98173953  0.19541144  1.0
  Tm  Tm4  1  0.75000000  0.48504247  0.31056790  1.0
  Tm  Tm5  1  0.25000000  0.16565317  0.42454464  1.0
  Tm  Tm6  1  0.25000000  0.66503388  0.07400308  1.0
  Tm  Tm7  1  0.75000000  0.83453895  0.57816055  1.0
  Hg  Hg8  1  0.25000000  0.73704597  0.39807913  1.0
  Hg  Hg9  1  0.25000000  0.23427055  0.10573119  1.0
  Hg  Hg10  1  0.75000000  0.26152345  0.59511099  1.0
  Hg  Hg11  1  0.75000000  0.77240203  0.90035311  1.0