# generated using pymatgen data_CaBe(Cu2Si)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01047009 _cell_length_b 8.01047287 _cell_length_c 8.01174811 _cell_angle_alpha 120.46651541 _cell_angle_beta 120.46715469 _cell_angle_gamma 89.20908514 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBe(Cu2Si)4 _chemical_formula_sum 'Ca2 Be2 Cu16 Si8' _cell_volume 360.86720788 _cell_formula_units_Z 2 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 0.24998982 0.25000925 0.00000047 1.0 Ca Ca1 1 0.75001018 0.74999075 0.99999953 1.0 Be Be2 1 0.50000000 0.00000000 0.50000000 1.0 Be Be3 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu4 1 0.94218517 0.21018872 0.15232465 1.0 Cu Cu5 1 0.20974682 0.05777176 0.26767226 1.0 Cu Cu6 1 0.79025318 0.94222824 0.73232774 1.0 Cu Cu7 1 0.44221990 0.29024923 0.73231386 1.0 Cu Cu8 1 0.05781483 0.78981128 0.84767535 1.0 Cu Cu9 1 0.79863473 0.05939096 0.49990403 1.0 Cu Cu10 1 0.55938703 0.29863034 0.49989415 1.0 Cu Cu11 1 0.20136527 0.94060904 0.50009597 1.0 Cu Cu12 1 0.44061297 0.70136966 0.50010585 1.0 Cu Cu13 1 0.94066924 0.44066297 0.73961548 1.0 Cu Cu14 1 0.70114670 0.20114759 0.26055916 1.0 Cu Cu15 1 0.05933076 0.55933703 0.26038452 1.0 Cu Cu16 1 0.71018066 0.44218282 0.15231783 1.0 Cu Cu17 1 0.55778010 0.70975077 0.26768614 1.0 Cu Cu18 1 0.29885330 0.79885241 0.73944084 1.0 Cu Cu19 1 0.28981934 0.55781718 0.84768217 1.0 Si Si20 1 0.79338958 0.29339373 0.85485257 1.0 Si Si21 1 0.56114136 0.06114796 0.85414396 1.0 Si Si22 1 0.06108532 0.20633301 0.49970098 1.0 Si Si23 1 0.29366630 0.43891512 0.50029739 1.0 Si Si24 1 0.93891468 0.79366699 0.50029902 1.0 Si Si25 1 0.43885864 0.93885204 0.14585604 1.0 Si Si26 1 0.20661042 0.70660627 0.14514743 1.0 Si Si27 1 0.70633370 0.56108488 0.49970261 1.0