# generated using pymatgen data_MgNiHO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05490853 _cell_length_b 3.05463432 _cell_length_c 6.93365584 _cell_angle_alpha 89.99999938 _cell_angle_beta 89.99686418 _cell_angle_gamma 119.99704929 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNiHO2 _chemical_formula_sum 'Mg1 Ni1 H1 O2' _cell_volume 56.03550143 _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 Mg Mg0 1 0.00037709 0.00018855 0.65854708 1.0 Ni Ni1 1 0.99979255 0.99989628 0.02547225 1.0 H H2 1 0.33316011 0.66658106 0.30278572 1.0 O O3 1 0.66694271 0.33347085 0.82293719 1.0 O O4 1 0.33312854 0.66656427 0.16028776 1.0