# generated using pymatgen data_NdTa3(CrH6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04123454 _cell_length_b 6.04123245 _cell_length_c 4.81072659 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999519 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTa3(CrH6)2 _chemical_formula_sum 'Nd1 Ta3 Cr2 H12' _cell_volume 152.05215212 _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 Nd Nd0 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta1 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta2 1 0.00000000 0.50000000 0.50000000 1.0 Ta Ta3 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr4 1 0.66666700 0.33333300 0.00000000 1.0 Cr Cr5 1 0.33333300 0.66666700 0.00000000 1.0 H H6 1 0.79881272 0.59762745 0.73658996 1.0 H H7 1 0.20118728 0.40237255 0.26341004 1.0 H H8 1 0.20118728 0.79881272 0.26341004 1.0 H H9 1 0.79881272 0.20118728 0.26341004 1.0 H H10 1 0.59762745 0.79881272 0.26341004 1.0 H H11 1 0.40237255 0.20118728 0.26341004 1.0 H H12 1 0.40237255 0.20118728 0.73658996 1.0 H H13 1 0.20118728 0.40237255 0.73658996 1.0 H H14 1 0.79881272 0.20118728 0.73658996 1.0 H H15 1 0.59762745 0.79881272 0.73658996 1.0 H H16 1 0.79881272 0.59762745 0.26341004 1.0 H H17 1 0.20118728 0.79881272 0.73658996 1.0