# generated using pymatgen data_GaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.14660578 _cell_length_b 19.14660578 _cell_length_c 19.14660578 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSe2 _chemical_formula_sum 'Ga24 Se48' _cell_volume 5403.23050835 _cell_formula_units_Z 24 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 0.74390900 0.38076900 0.25689800 1.0 Ga Ga1 1 0.48701100 0.12387100 0.74310200 1.0 Ga Ga2 1 0.63686000 0.51298900 0.25609100 1.0 Ga Ga3 1 0.74390900 0.25689800 0.38076900 1.0 Ga Ga4 1 0.51298900 0.63686000 0.25609100 1.0 Ga Ga5 1 0.38076900 0.74390900 0.25689800 1.0 Ga Ga6 1 0.36314000 0.61923100 0.87612900 1.0 Ga Ga7 1 0.38076900 0.25689800 0.74390900 1.0 Ga Ga8 1 0.25689800 0.38076900 0.74390900 1.0 Ga Ga9 1 0.25609100 0.63686000 0.51298900 1.0 Ga Ga10 1 0.36314000 0.87612900 0.61923100 1.0 Ga Ga11 1 0.87612900 0.36314000 0.61923100 1.0 Ga Ga12 1 0.25689800 0.74390900 0.38076900 1.0 Ga Ga13 1 0.74310200 0.12387100 0.48701100 1.0 Ga Ga14 1 0.51298900 0.25609100 0.63686000 1.0 Ga Ga15 1 0.12387100 0.48701100 0.74310200 1.0 Ga Ga16 1 0.48701100 0.74310200 0.12387100 1.0 Ga Ga17 1 0.63686000 0.25609100 0.51298900 1.0 Ga Ga18 1 0.25609100 0.51298900 0.63686000 1.0 Ga Ga19 1 0.61923100 0.36314000 0.87612900 1.0 Ga Ga20 1 0.74310200 0.48701100 0.12387100 1.0 Ga Ga21 1 0.61923100 0.87612900 0.36314000 1.0 Ga Ga22 1 0.87612900 0.61923100 0.36314000 1.0 Ga Ga23 1 0.12387100 0.74310200 0.48701100 1.0 Se Se24 1 0.00000000 0.75034900 0.48769700 1.0 Se Se25 1 0.38349800 0.62031800 0.26151300 1.0 Se Se26 1 0.23681900 0.87801500 0.61650200 1.0 Se Se27 1 0.87801500 0.23681900 0.61650200 1.0 Se Se28 1 0.00000000 0.48769700 0.75034900 1.0 Se Se29 1 0.50000000 0.12028100 0.62028100 1.0 Se Se30 1 0.64119500 0.76318100 0.37968200 1.0 Se Se31 1 0.50000000 0.87971900 0.37971900 1.0 Se Se32 1 0.87801500 0.61650200 0.23681900 1.0 Se Se33 1 0.26265300 0.51230300 0.51230300 1.0 Se Se34 1 0.12198500 0.73848700 0.35880500 1.0 Se Se35 1 0.73848700 0.35880500 0.12198500 1.0 Se Se36 1 0.38349800 0.26151300 0.62031800 1.0 Se Se37 1 0.12028100 0.62028100 0.50000000 1.0 Se Se38 1 0.26151300 0.62031800 0.38349800 1.0 Se Se39 1 0.61650200 0.23681900 0.87801500 1.0 Se Se40 1 0.12028100 0.50000000 0.62028100 1.0 Se Se41 1 0.62031800 0.26151300 0.38349800 1.0 Se Se42 1 0.62028100 0.12028100 0.50000000 1.0 Se Se43 1 0.51230300 0.51230300 0.26265300 1.0 Se Se44 1 0.37968200 0.76318100 0.64119500 1.0 Se Se45 1 0.73734700 0.24965100 0.24965100 1.0 Se Se46 1 0.76318100 0.64119500 0.37968200 1.0 Se Se47 1 0.37971900 0.50000000 0.87971900 1.0 Se Se48 1 0.75034900 0.00000000 0.48769700 1.0 Se Se49 1 0.75034900 0.48769700 0.00000000 1.0 Se Se50 1 0.37968200 0.64119500 0.76318100 1.0 Se Se51 1 0.12198500 0.35880500 0.73848700 1.0 Se Se52 1 0.64119500 0.37968200 0.76318100 1.0 Se Se53 1 0.23681900 0.61650200 0.87801500 1.0 Se Se54 1 0.35880500 0.12198500 0.73848700 1.0 Se Se55 1 0.24965100 0.73734700 0.24965100 1.0 Se Se56 1 0.73848700 0.12198500 0.35880500 1.0 Se Se57 1 0.48769700 0.00000000 0.75034900 1.0 Se Se58 1 0.35880500 0.73848700 0.12198500 1.0 Se Se59 1 0.50000000 0.62028100 0.12028100 1.0 Se Se60 1 0.62031800 0.38349800 0.26151300 1.0 Se Se61 1 0.50000000 0.37971900 0.87971900 1.0 Se Se62 1 0.87971900 0.50000000 0.37971900 1.0 Se Se63 1 0.62028100 0.50000000 0.12028100 1.0 Se Se64 1 0.26151300 0.38349800 0.62031800 1.0 Se Se65 1 0.61650200 0.87801500 0.23681900 1.0 Se Se66 1 0.24965100 0.24965100 0.73734700 1.0 Se Se67 1 0.37971900 0.87971900 0.50000000 1.0 Se Se68 1 0.87971900 0.37971900 0.50000000 1.0 Se Se69 1 0.48769700 0.75034900 0.00000000 1.0 Se Se70 1 0.51230300 0.26265300 0.51230300 1.0 Se Se71 1 0.76318100 0.37968200 0.64119500 1.0