# generated using pymatgen data_Zr4Be2SiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59118398 _cell_length_b 5.23745533 _cell_length_c 7.48347862 _cell_angle_alpha 70.12581050 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Be2SiP _chemical_formula_sum 'Zr4 Be2 Si1 P1' _cell_volume 132.37111664 _cell_formula_units_Z 1 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 Zr Zr0 1 0.25000000 0.71688705 0.07166063 1.0 Zr Zr1 1 0.75000000 0.28388285 0.92419573 1.0 Zr Zr2 1 0.25000000 0.21884110 0.57230414 1.0 Zr Zr3 1 0.75000000 0.77903121 0.43131301 1.0 Be Be4 1 0.25000000 0.64530873 0.71617185 1.0 Be Be5 1 0.75000000 0.35806310 0.28467311 1.0 Si Si6 1 0.25000000 0.14806031 0.21489512 1.0 P P7 1 0.75000000 0.84992464 0.78478741 1.0