# generated using pymatgen data_Ca19Co2(PO4)14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.86941225 _cell_length_b 13.86941225 _cell_length_c 13.86941223 _cell_angle_alpha 44.26968789 _cell_angle_beta 44.26968789 _cell_angle_gamma 44.26968517 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca19Co2(PO4)14 _chemical_formula_sum 'Ca19 Co2 P14 O56' _cell_volume 1181.38202645 _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 0.95674200 0.98338700 0.54804600 1.0 Ca Ca1 1 0.54804600 0.95674200 0.98338700 1.0 Ca Ca2 1 0.98338700 0.54804600 0.95674200 1.0 Ca Ca3 1 0.06826100 0.46509800 0.44559000 1.0 Ca Ca4 1 0.44559000 0.06826100 0.46509800 1.0 Ca Ca5 1 0.46509800 0.44559000 0.06826100 1.0 Ca Ca6 1 0.34609000 0.94551500 0.91235900 1.0 Ca Ca7 1 0.91235900 0.34609000 0.94551500 1.0 Ca Ca8 1 0.94551500 0.91235900 0.34609000 1.0 Ca Ca9 1 0.40617200 0.43492100 0.85438800 1.0 Ca Ca10 1 0.85438800 0.40617200 0.43492100 1.0 Ca Ca11 1 0.43492100 0.85438800 0.40617200 1.0 Ca Ca12 1 0.66171600 0.06582000 0.07739800 1.0 Ca Ca13 1 0.07739800 0.66171600 0.06582000 1.0 Ca Ca14 1 0.06582000 0.07739800 0.66171600 1.0 Ca Ca15 1 0.57875600 0.56373000 0.16395200 1.0 Ca Ca16 1 0.16395200 0.57875600 0.56373000 1.0 Ca Ca17 1 0.56373000 0.16395200 0.57875600 1.0 Ca Ca18 1 0.69059800 0.69059800 0.69059800 1.0 Co Co19 1 0.50309500 0.50309500 0.50309500 1.0 Co Co20 1 0.00357900 0.00357900 0.00357900 1.0 P P21 1 0.32774400 0.81073500 0.77217000 1.0 P P22 1 0.77217000 0.32774400 0.81073500 1.0 P P23 1 0.81073500 0.77217000 0.32774400 1.0 P P24 1 0.27543100 0.31363100 0.82168200 1.0 P P25 1 0.82168200 0.27543100 0.31363100 1.0 P P26 1 0.31363100 0.82168200 0.27543100 1.0 P P27 1 0.76723200 0.76723200 0.76723200 1.0 P P28 1 0.26742600 0.26742600 0.26742600 1.0 P P29 1 0.18882400 0.72539700 0.68602100 1.0 P P30 1 0.68602100 0.18882400 0.72539700 1.0 P P31 1 0.72539700 0.68602100 0.18882400 1.0 P P32 1 0.18481800 0.22668900 0.68900600 1.0 P P33 1 0.68900600 0.18481800 0.22668900 1.0 P P34 1 0.22668900 0.68900600 0.18481800 1.0 O O35 1 0.42671700 0.84701900 0.75276600 1.0 O O36 1 0.75276600 0.42671700 0.84701900 1.0 O O37 1 0.84701900 0.75276600 0.42671700 1.0 O O38 1 0.26039300 0.36053800 0.90538100 1.0 O O39 1 0.90538100 0.26039300 0.36053800 1.0 O O40 1 0.36053800 0.90538100 0.26039300 1.0 O O41 1 0.15308200 0.88010900 0.87216700 1.0 O O42 1 0.87216700 0.15308200 0.88010900 1.0 O O43 1 0.88010900 0.87216700 0.15308200 1.0 O O44 1 0.37297700 0.38150300 0.64434200 1.0 O O45 1 0.64434200 0.37297700 0.38150300 1.0 O O46 1 0.38150300 0.64434200 0.37297700 1.0 O O47 1 0.13236900 0.67089200 0.85604000 1.0 O O48 1 0.85604000 0.13236900 0.67089200 1.0 O O49 1 0.67089200 0.85604000 0.13236900 1.0 O O50 1 0.35506300 0.17177500 0.63094400 1.0 O O51 1 0.63094400 0.35506300 0.17177500 1.0 O O52 1 0.17177500 0.63094400 0.35506300 1.0 O O53 1 0.36590300 0.63778000 0.61767900 1.0 O O54 1 0.61767900 0.36590300 0.63778000 1.0 O O55 1 0.63778000 0.61767900 0.36590300 1.0 O O56 1 0.11798400 0.13905100 0.86626300 1.0 O O57 1 0.86626300 0.11798400 0.13905100 1.0 O O58 1 0.13905100 0.86626300 0.11798400 1.0 O O59 1 0.80787800 0.80787800 0.80787800 1.0 O O60 1 0.30932300 0.30932300 0.30932300 1.0 O O61 1 0.75124600 0.61257400 0.88962700 1.0 O O62 1 0.88962700 0.75124600 0.61257400 1.0 O O63 1 0.61257400 0.88962700 0.75124600 1.0 O O64 1 0.39691000 0.11241500 0.25732500 1.0 O O65 1 0.25732500 0.39691000 0.11241500 1.0 O O66 1 0.11241500 0.25732500 0.39691000 1.0 O O67 1 0.14934400 0.89813300 0.59211400 1.0 O O68 1 0.59211400 0.14934400 0.89813300 1.0 O O69 1 0.89813300 0.59211400 0.14934400 1.0 O O70 1 0.08932700 0.39962800 0.64763900 1.0 O O71 1 0.64763900 0.08932700 0.39962800 1.0 O O72 1 0.39962800 0.64763900 0.08932700 1.0 O O73 1 0.33919200 0.89472700 0.61045600 1.0 O O74 1 0.61045600 0.33919200 0.89472700 1.0 O O75 1 0.89472700 0.61045600 0.33919200 1.0 O O76 1 0.11181400 0.39261600 0.83803200 1.0 O O77 1 0.83803200 0.11181400 0.39261600 1.0 O O78 1 0.39261600 0.83803200 0.11181400 1.0 O O79 1 0.38441400 0.63704400 0.84715900 1.0 O O80 1 0.84715900 0.38441400 0.63704400 1.0 O O81 1 0.63704400 0.84715900 0.38441400 1.0 O O82 1 0.35185400 0.13949800 0.87609300 1.0 O O83 1 0.87609300 0.35185400 0.13949800 1.0 O O84 1 0.13949800 0.87609300 0.35185400 1.0 O O85 1 0.11228200 0.69248500 0.67498700 1.0 O O86 1 0.67498700 0.11228200 0.69248500 1.0 O O87 1 0.69248500 0.67498700 0.11228200 1.0 O O88 1 0.17359100 0.19046500 0.61525500 1.0 O O89 1 0.61525500 0.17359100 0.19046500 1.0 O O90 1 0.19046500 0.61525500 0.17359100 1.0