# generated using pymatgen data_CaTb(Cu2P)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21676559 _cell_length_b 7.21676559 _cell_length_c 3.79715988 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.33241489 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTb(Cu2P)4 _chemical_formula_sum 'Ca1 Tb1 Cu8 P4' _cell_volume 197.74913872 _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 Ca Ca0 1 0.50000000 0.50000000 0.50000000 1.0 Tb Tb1 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu2 1 0.66519837 0.91585910 0.50000000 1.0 Cu Cu3 1 0.16309391 0.58446087 0.00000000 1.0 Cu Cu4 1 0.41553913 0.83690609 0.00000000 1.0 Cu Cu5 1 0.91585910 0.66519837 0.50000000 1.0 Cu Cu6 1 0.83690609 0.41553913 0.00000000 1.0 Cu Cu7 1 0.58446087 0.16309391 0.00000000 1.0 Cu Cu8 1 0.08414090 0.33480163 0.50000000 1.0 Cu Cu9 1 0.33480163 0.08414090 0.50000000 1.0 P P10 1 0.28116825 0.28116825 0.00000000 1.0 P P11 1 0.71883175 0.71883175 0.00000000 1.0 P P12 1 0.78564855 0.21435145 0.50000000 1.0 P P13 1 0.21435145 0.78564855 0.50000000 1.0