# generated using pymatgen data_Ca2Ni3Ge2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99253500 _cell_length_b 7.02860100 _cell_length_c 9.04309200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ni3Ge2 _chemical_formula_sum 'Ca4 Ni6 Ge4' _cell_volume 253.76666437 _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 0.00000000 0.83050200 0.25000000 1.0 Ca Ca1 1 0.00000000 0.16949800 0.75000000 1.0 Ca Ca2 1 0.50000000 0.50000000 0.00000000 1.0 Ca Ca3 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni4 1 0.50000000 0.18473800 0.25000000 1.0 Ni Ni5 1 0.50000000 0.81526200 0.75000000 1.0 Ni Ni6 1 0.00000000 0.15335800 0.07317400 1.0 Ni Ni7 1 0.00000000 0.84664200 0.92682600 1.0 Ni Ni8 1 0.00000000 0.15335800 0.42682600 1.0 Ni Ni9 1 0.00000000 0.84664200 0.57317400 1.0 Ge Ge10 1 0.00000000 0.39960200 0.25000000 1.0 Ge Ge11 1 0.00000000 0.60039800 0.75000000 1.0 Ge Ge12 1 0.50000000 0.00000000 0.00000000 1.0 Ge Ge13 1 0.50000000 0.00000000 0.50000000 1.0