# generated using pymatgen data_LiCoNi4As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64825059 _cell_length_b 10.56235763 _cell_length_c 12.11814089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoNi4As3 _chemical_formula_sum 'Li4 Co4 Ni16 As12' _cell_volume 466.96198533 _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 Li Li0 1 0.25000000 0.57283425 0.70360100 1.0 Li Li1 1 0.25000000 0.92716575 0.20360100 1.0 Li Li2 1 0.75000000 0.42716575 0.29639900 1.0 Li Li3 1 0.75000000 0.07283425 0.79639900 1.0 Co Co4 1 0.25000000 0.46269927 0.93288325 1.0 Co Co5 1 0.25000000 0.03730073 0.43288325 1.0 Co Co6 1 0.75000000 0.53730073 0.06711675 1.0 Co Co7 1 0.75000000 0.96269927 0.56711675 1.0 Ni Ni8 1 0.25000000 0.70966978 0.98898910 1.0 Ni Ni9 1 0.25000000 0.79033022 0.48898910 1.0 Ni Ni10 1 0.75000000 0.29033022 0.01101090 1.0 Ni Ni11 1 0.75000000 0.20966978 0.51101090 1.0 Ni Ni12 1 0.25000000 0.40739036 0.48728016 1.0 Ni Ni13 1 0.25000000 0.09260964 0.98728016 1.0 Ni Ni14 1 0.75000000 0.59260964 0.51271984 1.0 Ni Ni15 1 0.75000000 0.90739036 0.01271984 1.0 Ni Ni16 1 0.25000000 0.21573061 0.17763182 1.0 Ni Ni17 1 0.25000000 0.28426939 0.67763182 1.0 Ni Ni18 1 0.75000000 0.78426939 0.82236818 1.0 Ni Ni19 1 0.75000000 0.71573061 0.32236818 1.0 Ni Ni20 1 0.25000000 0.88067864 0.69767720 1.0 Ni Ni21 1 0.25000000 0.61932136 0.19767720 1.0 Ni Ni22 1 0.75000000 0.11932136 0.30232280 1.0 Ni Ni23 1 0.75000000 0.38067864 0.80232280 1.0 As As24 1 0.25000000 0.41808503 0.11804905 1.0 As As25 1 0.25000000 0.08191497 0.61804905 1.0 As As26 1 0.75000000 0.58191497 0.88195095 1.0 As As27 1 0.75000000 0.91808503 0.38195095 1.0 As As28 1 0.25000000 0.25908607 0.86794774 1.0 As As29 1 0.25000000 0.24091393 0.36794774 1.0 As As30 1 0.75000000 0.74091393 0.13205226 1.0 As As31 1 0.75000000 0.75908607 0.63205226 1.0 As As32 1 0.25000000 0.59433976 0.38810341 1.0 As As33 1 0.25000000 0.90566024 0.88810341 1.0 As As34 1 0.75000000 0.40566024 0.61189659 1.0 As As35 1 0.75000000 0.09433976 0.11189659 1.0