# generated using pymatgen data_ErF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34367570 _cell_length_b 6.24784654 _cell_length_c 6.76421292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErF3 _chemical_formula_sum 'Er4 F12' _cell_volume 183.57139858 _cell_formula_units_Z 4 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 Er Er0 1 0.93864099 0.63031511 0.75000000 1.0 Er Er1 1 0.43864099 0.86968489 0.25000000 1.0 Er Er2 1 0.56135901 0.13031511 0.75000000 1.0 Er Er3 1 0.06135901 0.36968489 0.25000000 1.0 F F4 1 0.37623517 0.16601435 0.43775116 1.0 F F5 1 0.87623517 0.33398565 0.56224884 1.0 F F6 1 0.12376483 0.66601435 0.06224884 1.0 F F7 1 0.62376483 0.83398565 0.93775116 1.0 F F8 1 0.59123504 0.52332504 0.25000000 1.0 F F9 1 0.09123504 0.97667496 0.75000000 1.0 F F10 1 0.90876496 0.02332504 0.25000000 1.0 F F11 1 0.40876496 0.47667496 0.75000000 1.0 F F12 1 0.37623517 0.16601435 0.06224884 1.0 F F13 1 0.87623517 0.33398565 0.93775116 1.0 F F14 1 0.12376483 0.66601435 0.43775116 1.0 F F15 1 0.62376483 0.83398565 0.56224884 1.0