# generated using pymatgen data_Ca2Co12P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03137956 _cell_length_b 9.03137956 _cell_length_c 3.56186100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999676 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Co12P7 _chemical_formula_sum 'Ca2 Co12 P7' _cell_volume 251.60299255 _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 0.66666700 0.33333300 0.50000000 1.0 Ca Ca1 1 0.33333300 0.66666700 0.00000000 1.0 Co Co2 1 0.38250100 0.43441700 0.50000000 1.0 Co Co3 1 0.05191600 0.61749900 0.50000000 1.0 Co Co4 1 0.23490000 0.10309500 0.50000000 1.0 Co Co5 1 0.86819500 0.76510000 0.50000000 1.0 Co Co6 1 0.89690500 0.13180500 0.50000000 1.0 Co Co7 1 0.72819400 0.88055000 0.00000000 1.0 Co Co8 1 0.11945000 0.84764400 0.00000000 1.0 Co Co9 1 0.15235600 0.27180600 0.00000000 1.0 Co Co10 1 0.94183200 0.37636900 0.00000000 1.0 Co Co11 1 0.62363100 0.56546300 0.00000000 1.0 Co Co12 1 0.43453700 0.05816800 0.00000000 1.0 Co Co13 1 0.56558300 0.94808400 0.50000000 1.0 P P14 1 0.00000000 0.00000000 0.00000000 1.0 P P15 1 0.40457900 0.29202200 0.00000000 1.0 P P16 1 0.59871000 0.70840100 0.50000000 1.0 P P17 1 0.29159900 0.89030900 0.50000000 1.0 P P18 1 0.10969100 0.40129000 0.50000000 1.0 P P19 1 0.70797800 0.11255800 0.00000000 1.0 P P20 1 0.88744200 0.59542100 0.00000000 1.0