# generated using pymatgen data_CaGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00463783 _cell_length_b 4.00463698 _cell_length_c 10.16285813 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000690 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGe2 _chemical_formula_sum 'Ca2 Ge4' _cell_volume 141.14739395 _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 Ca Ca0 1 0.33333300 0.66666700 0.29225609 1.0 Ca Ca1 1 0.66666700 0.33333300 0.79225609 1.0 Ge Ge2 1 0.33333300 0.66666700 0.60454111 1.0 Ge Ge3 1 0.66666700 0.33333300 0.10454111 1.0 Ge Ge4 1 0.00000000 0.00000000 0.00021180 1.0 Ge Ge5 1 0.00000000 -0.00000000 0.50021180 1.0