# generated using pymatgen data_MnGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21490300 _cell_length_b 5.47428000 _cell_length_c 29.34303500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGaNi2 _chemical_formula_sum 'Mn14 Ga14 Ni28' _cell_volume 677.04825503 _cell_formula_units_Z 14 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 Mn Mn0 1 0.44792700 0.50000000 0.42860500 1.0 Mn Mn1 1 0.03326300 0.00000000 0.64303500 1.0 Mn Mn2 1 0.96673700 0.00000000 0.35696500 1.0 Mn Mn3 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn4 1 0.55302400 0.50000000 0.28604300 1.0 Mn Mn5 1 0.53326300 0.50000000 0.85696500 1.0 Mn Mn6 1 0.94792700 0.00000000 0.07139500 1.0 Mn Mn7 1 0.46673700 0.50000000 0.14303500 1.0 Mn Mn8 1 0.05302400 0.00000000 0.21395700 1.0 Mn Mn9 1 0.44697600 0.50000000 0.71395700 1.0 Mn Mn10 1 0.94697600 0.00000000 0.78604300 1.0 Mn Mn11 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn12 1 0.05207300 0.00000000 0.92860500 1.0 Mn Mn13 1 0.55207300 0.50000000 0.57139500 1.0 Ga Ga14 1 0.44902400 0.00000000 0.42848700 1.0 Ga Ga15 1 0.44431700 0.00000000 0.71486000 1.0 Ga Ga16 1 0.50000000 0.00000000 0.00000000 1.0 Ga Ga17 1 0.55568300 0.00000000 0.28514000 1.0 Ga Ga18 1 0.03789000 0.50000000 0.64290300 1.0 Ga Ga19 1 0.00000000 0.50000000 0.50000000 1.0 Ga Ga20 1 0.05097600 0.50000000 0.92848700 1.0 Ga Ga21 1 0.05568300 0.50000000 0.21486000 1.0 Ga Ga22 1 0.94431700 0.50000000 0.78514000 1.0 Ga Ga23 1 0.53789000 0.00000000 0.85709700 1.0 Ga Ga24 1 0.94902400 0.50000000 0.07151300 1.0 Ga Ga25 1 0.55097600 0.00000000 0.57151300 1.0 Ga Ga26 1 0.96211000 0.50000000 0.35709700 1.0 Ga Ga27 1 0.46211000 0.00000000 0.14290300 1.0 Ni Ni28 1 0.44109100 0.75030100 0.78585800 1.0 Ni Ni29 1 0.05890900 0.74969900 0.28585800 1.0 Ni Ni30 1 0.03828600 0.74942100 0.85734800 1.0 Ni Ni31 1 0.44109100 0.24969900 0.78585800 1.0 Ni Ni32 1 0.46171400 0.24942100 0.35734800 1.0 Ni Ni33 1 0.96171400 0.74942100 0.14265200 1.0 Ni Ni34 1 0.94310500 0.25042600 0.42873400 1.0 Ni Ni35 1 0.94109100 0.25030100 0.71414200 1.0 Ni Ni36 1 0.44310500 0.75042600 0.07126600 1.0 Ni Ni37 1 0.94109100 0.74969900 0.71414200 1.0 Ni Ni38 1 0.96171400 0.25057900 0.14265200 1.0 Ni Ni39 1 0.05890900 0.25030100 0.28585800 1.0 Ni Ni40 1 0.55689500 0.75042600 0.92873400 1.0 Ni Ni41 1 0.44310500 0.24957400 0.07126600 1.0 Ni Ni42 1 0.94310500 0.74957400 0.42873400 1.0 Ni Ni43 1 0.05689500 0.74957400 0.57126600 1.0 Ni Ni44 1 0.05689500 0.25042600 0.57126600 1.0 Ni Ni45 1 0.00000000 0.74965800 0.00000000 1.0 Ni Ni46 1 0.53828600 0.75057900 0.64265200 1.0 Ni Ni47 1 0.55689500 0.24957400 0.92873400 1.0 Ni Ni48 1 0.03828600 0.25057900 0.85734800 1.0 Ni Ni49 1 0.46171400 0.75057900 0.35734800 1.0 Ni Ni50 1 0.55890900 0.75030100 0.21414200 1.0 Ni Ni51 1 0.55890900 0.24969900 0.21414200 1.0 Ni Ni52 1 0.00000000 0.25034200 0.00000000 1.0 Ni Ni53 1 0.53828600 0.24942100 0.64265200 1.0 Ni Ni54 1 0.50000000 0.75034200 0.50000000 1.0 Ni Ni55 1 0.50000000 0.24965800 0.50000000 1.0