# generated using pymatgen
data_Ca4YTm3Hg8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41270884
_cell_length_b   7.41260581
_cell_length_c   7.35648037
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00019444
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4YTm3Hg8
_chemical_formula_sum   'Ca4 Y1 Tm3 Hg8'
_cell_volume   404.22012122
_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  0.74942569  0.25000000  0.00002360  1.0
  Ca  Ca1  1  0.24942484  0.75000000  0.49998466  1.0
  Ca  Ca2  1  0.75050608  0.25000000  0.50001829  1.0
  Ca  Ca3  1  0.25050380  0.75000000  0.99997805  1.0
  Y  Y4  1  0.24977558  0.25000000  0.50000576  1.0
  Tm  Tm5  1  0.25017214  0.25000000  0.99999733  1.0
  Tm  Tm6  1  0.74975456  0.75000000  0.00000221  1.0
  Tm  Tm7  1  0.75027677  0.75000000  0.49999406  1.0
  Hg  Hg8  1  0.99804839  0.50199956  0.24713432  1.0
  Hg  Hg9  1  0.99804839  0.99800244  0.24713432  1.0
  Hg  Hg10  1  0.50209882  0.99791399  0.24881396  1.0
  Hg  Hg11  1  0.50209882  0.50208601  0.24881396  1.0
  Hg  Hg12  1  0.50200825  0.50211828  0.75118885  1.0
  Hg  Hg13  1  0.50200825  0.99788372  0.75118885  1.0
  Hg  Hg14  1  0.99792430  0.99804207  0.75286189  1.0
  Hg  Hg15  1  0.99792430  0.50195793  0.75286189  1.0