# generated using pymatgen data_Nd2Fe14C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73823300 _cell_length_b 8.73823300 _cell_length_c 12.44494400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Fe14C _chemical_formula_sum 'Nd8 Fe56 C4' _cell_volume 950.25505417 _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 0.17590700 0.82409300 0.00000000 1.0 Nd Nd1 1 0.26275000 0.73725000 0.50000000 1.0 Nd Nd2 1 0.23725000 0.23725000 0.00000000 1.0 Nd Nd3 1 0.32409300 0.32409300 0.50000000 1.0 Nd Nd4 1 0.82409300 0.17590700 0.00000000 1.0 Nd Nd5 1 0.73725000 0.26275000 0.50000000 1.0 Nd Nd6 1 0.76275000 0.76275000 0.00000000 1.0 Nd Nd7 1 0.67590700 0.67590700 0.50000000 1.0 Fe Fe8 1 0.35852800 0.02797500 0.17885700 1.0 Fe Fe9 1 0.95693900 0.73864800 0.39019800 1.0 Fe Fe10 1 0.39423100 0.60576900 0.25718400 1.0 Fe Fe11 1 0.64147200 0.97202500 0.17885700 1.0 Fe Fe12 1 0.76135200 0.45693900 0.10980200 1.0 Fe Fe13 1 0.04306100 0.26135200 0.60980200 1.0 Fe Fe14 1 0.19070200 0.80929800 0.25218500 1.0 Fe Fe15 1 0.69070200 0.69070200 0.75218500 1.0 Fe Fe16 1 0.97202500 0.64147200 0.82114300 1.0 Fe Fe17 1 0.73864800 0.95693900 0.39019800 1.0 Fe Fe18 1 0.04306100 0.26135200 0.39019800 1.0 Fe Fe19 1 0.14147200 0.52797500 0.32114300 1.0 Fe Fe20 1 0.00000000 0.00000000 0.89683700 1.0 Fe Fe21 1 0.52797500 0.14147200 0.67885700 1.0 Fe Fe22 1 0.64147200 0.97202500 0.82114300 1.0 Fe Fe23 1 0.76135200 0.45693900 0.89019800 1.0 Fe Fe24 1 0.30929800 0.30929800 0.24781500 1.0 Fe Fe25 1 0.26135200 0.04306100 0.60980200 1.0 Fe Fe26 1 0.85852800 0.47202500 0.67885700 1.0 Fe Fe27 1 0.19070200 0.80929800 0.74781500 1.0 Fe Fe28 1 0.89423100 0.89423100 0.24281600 1.0 Fe Fe29 1 0.35852800 0.02797500 0.82114300 1.0 Fe Fe30 1 0.80929800 0.19070200 0.25218500 1.0 Fe Fe31 1 0.00000000 0.00000000 0.10316300 1.0 Fe Fe32 1 0.10576900 0.10576900 0.24281600 1.0 Fe Fe33 1 0.50000000 0.50000000 0.39683700 1.0 Fe Fe34 1 0.89423100 0.89423100 0.75718400 1.0 Fe Fe35 1 0.10576900 0.10576900 0.75718400 1.0 Fe Fe36 1 0.60576900 0.39423100 0.25718400 1.0 Fe Fe37 1 0.54306100 0.23864800 0.10980200 1.0 Fe Fe38 1 0.14147200 0.52797500 0.67885700 1.0 Fe Fe39 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe40 1 0.54306100 0.23864800 0.89019800 1.0 Fe Fe41 1 0.85852800 0.47202500 0.32114300 1.0 Fe Fe42 1 0.52797500 0.14147200 0.32114300 1.0 Fe Fe43 1 0.45693900 0.76135200 0.89019800 1.0 Fe Fe44 1 0.26135200 0.04306100 0.39019800 1.0 Fe Fe45 1 0.69070200 0.69070200 0.24781500 1.0 Fe Fe46 1 0.23864800 0.54306100 0.10980200 1.0 Fe Fe47 1 0.95693900 0.73864800 0.60980200 1.0 Fe Fe48 1 0.02797500 0.35852800 0.82114300 1.0 Fe Fe49 1 0.47202500 0.85852800 0.67885700 1.0 Fe Fe50 1 0.30929800 0.30929800 0.75218500 1.0 Fe Fe51 1 0.50000000 0.50000000 0.60316300 1.0 Fe Fe52 1 0.23864800 0.54306100 0.89019800 1.0 Fe Fe53 1 0.39423100 0.60576900 0.74281600 1.0 Fe Fe54 1 0.02797500 0.35852800 0.17885700 1.0 Fe Fe55 1 0.45693900 0.76135200 0.10980200 1.0 Fe Fe56 1 0.97202500 0.64147200 0.17885700 1.0 Fe Fe57 1 0.73864800 0.95693900 0.60980200 1.0 Fe Fe58 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe59 1 0.60576900 0.39423100 0.74281600 1.0 Fe Fe60 1 0.80929800 0.19070200 0.74781500 1.0 Fe Fe61 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe62 1 0.47202500 0.85852800 0.32114300 1.0 Fe Fe63 1 0.00000000 0.50000000 0.50000000 1.0 C C64 1 0.62441600 0.37558400 0.00000000 1.0 C C65 1 0.37558400 0.62441600 0.00000000 1.0 C C66 1 0.12441600 0.12441600 0.50000000 1.0 C C67 1 0.87558400 0.87558400 0.50000000 1.0