# generated using pymatgen data_NdCrH5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47494642 _cell_length_b 4.69711137 _cell_length_c 11.68190493 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdCrH5 _chemical_formula_sum 'Nd4 Cr4 H20' _cell_volume 245.54571800 _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 Nd Nd0 1 0.26023867 0.25081506 0.64660035 1.0 Nd Nd1 1 0.76023867 0.24918494 0.35339965 1.0 Nd Nd2 1 0.23976133 0.74918494 0.14660035 1.0 Nd Nd3 1 0.73976133 0.75081506 0.85339965 1.0 Cr Cr4 1 0.28489534 0.25110888 0.92220707 1.0 Cr Cr5 1 0.78489534 0.24889112 0.07779293 1.0 Cr Cr6 1 0.21510466 0.74889112 0.42220707 1.0 Cr Cr7 1 0.71510466 0.75110888 0.57779293 1.0 H H8 1 0.49822246 0.52191525 0.49653939 1.0 H H9 1 0.99822246 0.97808475 0.50346061 1.0 H H10 1 0.00177754 0.47808475 0.99653939 1.0 H H11 1 0.50177754 0.02191525 0.00346061 1.0 H H12 1 0.18980977 0.00000968 0.82349137 1.0 H H13 1 0.68980977 0.49999032 0.17650863 1.0 H H14 1 0.31019023 0.99999032 0.32349137 1.0 H H15 1 0.81019023 0.50000968 0.67650863 1.0 H H16 1 0.19276264 0.50499378 0.82418100 1.0 H H17 1 0.69276264 0.99500622 0.17581900 1.0 H H18 1 0.30723736 0.49500622 0.32418100 1.0 H H19 1 0.80723736 0.00499378 0.67581900 1.0 H H20 1 0.57309955 0.25097994 0.82977316 1.0 H H21 1 0.07309955 0.24902006 0.17022684 1.0 H H22 1 0.92690045 0.74902006 0.32977316 1.0 H H23 1 0.42690045 0.75097994 0.67022684 1.0 H H24 1 0.00286184 0.02151636 0.99632504 1.0 H H25 1 0.50286184 0.47848364 0.00367496 1.0 H H26 1 0.49713816 0.97848364 0.49632504 1.0 H H27 1 0.99713816 0.52151636 0.50367496 1.0