# generated using pymatgen data_ThNi5H7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27947314 _cell_length_b 5.27947303 _cell_length_c 8.57287678 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000071 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThNi5H7 _chemical_formula_sum 'Th2 Ni10 H14' _cell_volume 206.93710571 _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 Th Th0 1 0.00000000 0.00000000 0.48186995 1.0 Th Th1 1 0.00000000 0.00000000 0.98186995 1.0 Ni Ni2 1 0.49698661 0.50301339 0.24542256 1.0 Ni Ni3 1 0.00602579 0.50301339 0.24542256 1.0 Ni Ni4 1 0.49698661 0.99397421 0.24542256 1.0 Ni Ni5 1 0.50301339 0.49698661 0.74542256 1.0 Ni Ni6 1 0.99397421 0.49698661 0.74542256 1.0 Ni Ni7 1 0.50301339 0.00602579 0.74542256 1.0 Ni Ni8 1 0.33333300 0.66666700 0.49803571 1.0 Ni Ni9 1 0.66666700 0.33333300 0.99803571 1.0 Ni Ni10 1 0.33333300 0.66666700 0.01099675 1.0 Ni Ni11 1 0.66666700 0.33333300 0.51099675 1.0 H H12 1 0.50419068 0.49580932 0.43704526 1.0 H H13 1 0.99161964 0.49580932 0.43704526 1.0 H H14 1 0.50419068 0.00838036 0.43704526 1.0 H H15 1 0.49580932 0.50419068 0.93704526 1.0 H H16 1 0.00838036 0.50419068 0.93704526 1.0 H H17 1 0.49580932 0.99161964 0.93704526 1.0 H H18 1 0.33333300 0.66666700 0.68565401 1.0 H H19 1 0.66666700 0.33333300 0.18565401 1.0 H H20 1 0.14436815 0.85563185 0.23031304 1.0 H H21 1 0.71126369 0.85563185 0.23031304 1.0 H H22 1 0.14436815 0.28873631 0.23031304 1.0 H H23 1 0.85563185 0.14436815 0.73031304 1.0 H H24 1 0.28873631 0.14436815 0.73031304 1.0 H H25 1 0.85563185 0.71126369 0.73031304 1.0