# generated using pymatgen data_Ga3Ni27B14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.71584000 _cell_length_b 8.64492500 _cell_length_c 8.81662653 _cell_angle_alpha 89.26090607 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga3Ni27B14 _chemical_formula_sum 'Ga6 Ni54 B28' _cell_volume 816.68346129 _cell_formula_units_Z 2 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 Ga Ga0 1 0.25000000 0.72232800 0.67013500 1.0 Ga Ga1 1 0.75000000 0.27767200 0.32986500 1.0 Ga Ga2 1 0.25000000 0.14060500 0.83606800 1.0 Ga Ga3 1 0.75000000 0.85939500 0.16393200 1.0 Ga Ga4 1 0.25000000 0.89380400 0.24685700 1.0 Ga Ga5 1 0.75000000 0.10619600 0.75314300 1.0 Ni Ni6 1 0.25000000 0.62648900 0.36947800 1.0 Ni Ni7 1 0.75000000 0.37351100 0.63052200 1.0 Ni Ni8 1 0.25000000 0.20852200 0.17424400 1.0 Ni Ni9 1 0.75000000 0.79147800 0.82575600 1.0 Ni Ni10 1 0.25000000 0.43117000 0.75838400 1.0 Ni Ni11 1 0.75000000 0.56883000 0.24161600 1.0 Ni Ni12 1 0.25000000 0.02691600 0.57034100 1.0 Ni Ni13 1 0.75000000 0.97308400 0.42965900 1.0 Ni Ni14 1 0.25000000 0.79464800 0.97737100 1.0 Ni Ni15 1 0.75000000 0.20535200 0.02262900 1.0 Ni Ni16 1 0.11488100 0.61214100 0.12854200 1.0 Ni Ni17 1 0.61488100 0.38785900 0.87145800 1.0 Ni Ni18 1 0.88511900 0.38785900 0.87145800 1.0 Ni Ni19 1 0.38511900 0.61214100 0.12854200 1.0 Ni Ni20 1 0.09900700 0.82574000 0.48384000 1.0 Ni Ni21 1 0.59900700 0.17426000 0.51616000 1.0 Ni Ni22 1 0.90099300 0.17426000 0.51616000 1.0 Ni Ni23 1 0.40099300 0.82574000 0.48384000 1.0 Ni Ni24 1 0.10738100 0.03687700 0.03765200 1.0 Ni Ni25 1 0.60738100 0.96312300 0.96234800 1.0 Ni Ni26 1 0.89261900 0.96312300 0.96234800 1.0 Ni Ni27 1 0.39261900 0.03687700 0.03765200 1.0 Ni Ni28 1 0.12127500 0.26270400 0.58161100 1.0 Ni Ni29 1 0.62127500 0.73729600 0.41838900 1.0 Ni Ni30 1 0.87872500 0.73729600 0.41838900 1.0 Ni Ni31 1 0.37872500 0.26270400 0.58161100 1.0 Ni Ni32 1 0.10656200 0.90767900 0.77602200 1.0 Ni Ni33 1 0.60656200 0.09232100 0.22397800 1.0 Ni Ni34 1 0.89343800 0.09232100 0.22397800 1.0 Ni Ni35 1 0.39343800 0.90767900 0.77602200 1.0 Ni Ni36 1 0.10037200 0.08900000 0.35095100 1.0 Ni Ni37 1 0.60037200 0.91100000 0.64904900 1.0 Ni Ni38 1 0.89962800 0.91100000 0.64904900 1.0 Ni Ni39 1 0.39962800 0.08900000 0.35095100 1.0 Ni Ni40 1 0.09369700 0.54245400 0.57049000 1.0 Ni Ni41 1 0.59369700 0.45754600 0.42951000 1.0 Ni Ni42 1 0.90630300 0.45754600 0.42951000 1.0 Ni Ni43 1 0.40630300 0.54245400 0.57049000 1.0 Ni Ni44 1 0.11644600 0.34513500 0.98214200 1.0 Ni Ni45 1 0.61644600 0.65486500 0.01785800 1.0 Ni Ni46 1 0.88355400 0.65486500 0.01785800 1.0 Ni Ni47 1 0.38355400 0.34513500 0.98214200 1.0 Ni Ni48 1 0.00571000 0.83840800 0.21498500 1.0 Ni Ni49 1 0.50571000 0.16159200 0.78501500 1.0 Ni Ni50 1 0.99429000 0.16159200 0.78501500 1.0 Ni Ni51 1 0.49429000 0.83840800 0.21498500 1.0 Ni Ni52 1 0.08524600 0.61627500 0.84948900 1.0 Ni Ni53 1 0.58524600 0.38372500 0.15051100 1.0 Ni Ni54 1 0.91475400 0.38372500 0.15051100 1.0 Ni Ni55 1 0.41475400 0.61627500 0.84948900 1.0 Ni Ni56 1 0.11828200 0.39136400 0.31341600 1.0 Ni Ni57 1 0.61828200 0.60863600 0.68658400 1.0 Ni Ni58 1 0.88171800 0.60863600 0.68658400 1.0 Ni Ni59 1 0.38171800 0.39136400 0.31341600 1.0 B B60 1 0.25000000 0.42336300 0.50190600 1.0 B B61 1 0.75000000 0.57663700 0.49809400 1.0 B B62 1 0.25000000 0.44426700 0.14469400 1.0 B B63 1 0.75000000 0.55573300 0.85530600 1.0 B B64 1 0.25000000 0.22714100 0.41116600 1.0 B B65 1 0.75000000 0.77285900 0.58883400 1.0 B B66 1 0.25000000 0.54345600 0.96540500 1.0 B B67 1 0.75000000 0.45654400 0.03459500 1.0 B B68 1 0.05240400 0.21891300 0.16961800 1.0 B B69 1 0.55240400 0.78108700 0.83038200 1.0 B B70 1 0.94759600 0.78108700 0.83038200 1.0 B B71 1 0.44759600 0.21891300 0.16961800 1.0 B B72 1 0.05170400 0.81151700 0.98955600 1.0 B B73 1 0.55170400 0.18848300 0.01044400 1.0 B B74 1 0.94829600 0.18848300 0.01044400 1.0 B B75 1 0.44829600 0.81151700 0.98955600 1.0 B B76 1 0.06044200 0.39892800 0.76621000 1.0 B B77 1 0.56044200 0.60107200 0.23379000 1.0 B B78 1 0.93955800 0.60107200 0.23379000 1.0 B B79 1 0.43955800 0.39892800 0.76621000 1.0 B B80 1 0.94607400 0.96346200 0.41813200 1.0 B B81 1 0.44607400 0.03653800 0.58186800 1.0 B B82 1 0.05392600 0.03653800 0.58186800 1.0 B B83 1 0.55392600 0.96346200 0.41813200 1.0 B B84 1 0.05726800 0.63344100 0.36085900 1.0 B B85 1 0.55726800 0.36655900 0.63914100 1.0 B B86 1 0.94273200 0.36655900 0.63914100 1.0 B B87 1 0.44273200 0.63344100 0.36085900 1.0