# generated using pymatgen data_Ca14Hg51 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.76881426 _cell_length_b 13.76881426 _cell_length_c 10.25989600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000123 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca14Hg51 _chemical_formula_sum 'Ca14 Hg51' _cell_volume 1684.48313575 _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 0.00457000 0.19815600 0.50000000 1.0 Ca Ca1 1 0.80184400 0.80641400 0.50000000 1.0 Ca Ca2 1 0.19358600 0.99543000 0.50000000 1.0 Ca Ca3 1 0.66331700 0.13730000 0.50000000 1.0 Ca Ca4 1 0.86270000 0.52601700 0.50000000 1.0 Ca Ca5 1 0.47398300 0.33668300 0.50000000 1.0 Ca Ca6 1 0.60852300 0.55216200 0.00000000 1.0 Ca Ca7 1 0.44783800 0.05636000 0.00000000 1.0 Ca Ca8 1 0.94364000 0.39147700 0.00000000 1.0 Ca Ca9 1 0.05251100 0.78186700 0.00000000 1.0 Ca Ca10 1 0.21813300 0.27064400 0.00000000 1.0 Ca Ca11 1 0.72935600 0.94748900 0.00000000 1.0 Ca Ca12 1 0.33333300 0.66666700 0.30785400 1.0 Ca Ca13 1 0.33333300 0.66666700 0.69214600 1.0 Hg Hg14 1 0.95557600 0.17470500 0.14629000 1.0 Hg Hg15 1 0.82529500 0.78087000 0.14629000 1.0 Hg Hg16 1 0.21913000 0.04442400 0.14629000 1.0 Hg Hg17 1 0.71284000 0.16008900 0.14568000 1.0 Hg Hg18 1 0.83991100 0.55275000 0.14568000 1.0 Hg Hg19 1 0.44725000 0.28716000 0.14568000 1.0 Hg Hg20 1 0.71284000 0.16008900 0.85432000 1.0 Hg Hg21 1 0.83991100 0.55275000 0.85432000 1.0 Hg Hg22 1 0.44725000 0.28716000 0.85432000 1.0 Hg Hg23 1 0.95557600 0.17470500 0.85371000 1.0 Hg Hg24 1 0.82529500 0.78087000 0.85371000 1.0 Hg Hg25 1 0.21913000 0.04442400 0.85371000 1.0 Hg Hg26 1 0.51209500 0.60877500 0.50000000 1.0 Hg Hg27 1 0.39122500 0.90332000 0.50000000 1.0 Hg Hg28 1 0.09668000 0.48790500 0.50000000 1.0 Hg Hg29 1 0.15685700 0.72467100 0.50000000 1.0 Hg Hg30 1 0.27532900 0.43218600 0.50000000 1.0 Hg Hg31 1 0.56781400 0.84314300 0.50000000 1.0 Hg Hg32 1 0.00000000 0.00000000 0.00000000 1.0 Hg Hg33 1 0.66666700 0.33333300 0.00000000 1.0 Hg Hg34 1 0.67330100 0.56091900 0.33774700 1.0 Hg Hg35 1 0.43908100 0.11238300 0.33774700 1.0 Hg Hg36 1 0.88761700 0.32669900 0.33774700 1.0 Hg Hg37 1 0.99597000 0.77376700 0.33738600 1.0 Hg Hg38 1 0.22623300 0.22220400 0.33738600 1.0 Hg Hg39 1 0.77779600 0.00403000 0.33738600 1.0 Hg Hg40 1 0.99597000 0.77376700 0.66261400 1.0 Hg Hg41 1 0.22623300 0.22220400 0.66261400 1.0 Hg Hg42 1 0.77779600 0.00403000 0.66261400 1.0 Hg Hg43 1 0.67330100 0.56091900 0.66225300 1.0 Hg Hg44 1 0.43908100 0.11238300 0.66225300 1.0 Hg Hg45 1 0.88761700 0.32669900 0.66225300 1.0 Hg Hg46 1 0.41245900 0.47587100 0.22781000 1.0 Hg Hg47 1 0.52412900 0.93658800 0.22781000 1.0 Hg Hg48 1 0.06341200 0.58754100 0.22781000 1.0 Hg Hg49 1 0.25931200 0.85695600 0.22344400 1.0 Hg Hg50 1 0.14304400 0.40235600 0.22344400 1.0 Hg Hg51 1 0.59764400 0.74068800 0.22344400 1.0 Hg Hg52 1 0.25931200 0.85695600 0.77655600 1.0 Hg Hg53 1 0.14304400 0.40235600 0.77655600 1.0 Hg Hg54 1 0.59764400 0.74068800 0.77655600 1.0 Hg Hg55 1 0.41245900 0.47587100 0.77219000 1.0 Hg Hg56 1 0.52412900 0.93658800 0.77219000 1.0 Hg Hg57 1 0.06341200 0.58754100 0.77219000 1.0 Hg Hg58 1 0.00000000 0.00000000 0.31972800 1.0 Hg Hg59 1 0.66666700 0.33333300 0.31670200 1.0 Hg Hg60 1 0.66666700 0.33333300 0.68329800 1.0 Hg Hg61 1 0.00000000 0.00000000 0.68027200 1.0 Hg Hg62 1 0.31436600 0.53456700 0.00000000 1.0 Hg Hg63 1 0.46543300 0.77979900 0.00000000 1.0 Hg Hg64 1 0.22020100 0.68563400 0.00000000 1.0