# generated using pymatgen data_PrCoH5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55210183 _cell_length_b 6.26920767 _cell_length_c 8.23149234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCoH5 _chemical_formula_sum 'Pr4 Co4 H20' _cell_volume 234.91091859 _cell_formula_units_Z 4 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 Pr Pr0 1 0.24398419 0.35111100 0.18663127 1.0 Pr Pr1 1 0.74398419 0.64888900 0.81336873 1.0 Pr Pr2 1 0.74398419 0.85111100 0.31336873 1.0 Pr Pr3 1 0.24398419 0.14888900 0.68663127 1.0 Co Co4 1 0.23207435 0.65129238 0.54451952 1.0 Co Co5 1 0.73207435 0.34870762 0.45548048 1.0 Co Co6 1 0.73207435 0.15129238 0.95548048 1.0 Co Co7 1 0.23207435 0.84870762 0.04451952 1.0 H H8 1 0.91539757 0.54838808 0.51513014 1.0 H H9 1 0.41539757 0.45161192 0.48486986 1.0 H H10 1 0.41539757 0.04838808 0.98486986 1.0 H H11 1 0.91539757 0.95161192 0.01513014 1.0 H H12 1 0.00591543 0.66180708 0.09035066 1.0 H H13 1 0.50591543 0.33819292 0.90964934 1.0 H H14 1 0.50591543 0.16180708 0.40964934 1.0 H H15 1 0.00591543 0.83819292 0.59035066 1.0 H H16 1 0.49478712 0.68344142 0.08600841 1.0 H H17 1 0.99478712 0.31655858 0.91399159 1.0 H H18 1 0.99478712 0.18344142 0.41399159 1.0 H H19 1 0.49478712 0.81655858 0.58600841 1.0 H H20 1 0.23781543 0.78832398 0.86357090 1.0 H H21 1 0.73781543 0.21167602 0.13642910 1.0 H H22 1 0.73781543 0.28832398 0.63642910 1.0 H H23 1 0.23781543 0.71167602 0.36357090 1.0 H H24 1 0.23702590 0.96356943 0.21558909 1.0 H H25 1 0.73702590 0.03643057 0.78441091 1.0 H H26 1 0.73702590 0.46356943 0.28441091 1.0 H H27 1 0.23702590 0.53643057 0.71558909 1.0