# generated using pymatgen data_CaEr(Cu2P)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19203136 _cell_length_b 7.19203136 _cell_length_c 3.79572744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.22557541 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaEr(Cu2P)4 _chemical_formula_sum 'Ca1 Er1 Cu8 P4' _cell_volume 196.31726372 _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 Er Er1 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu2 1 0.66507158 0.91556937 0.50000000 1.0 Cu Cu3 1 0.16248894 0.58519039 0.00000000 1.0 Cu Cu4 1 0.41480961 0.83751106 0.00000000 1.0 Cu Cu5 1 0.91556937 0.66507158 0.50000000 1.0 Cu Cu6 1 0.83751106 0.41480961 0.00000000 1.0 Cu Cu7 1 0.58519039 0.16248894 0.00000000 1.0 Cu Cu8 1 0.08443063 0.33492842 0.50000000 1.0 Cu Cu9 1 0.33492842 0.08443063 0.50000000 1.0 P P10 1 0.27986635 0.27986635 0.00000000 1.0 P P11 1 0.72013365 0.72013365 0.00000000 1.0 P P12 1 0.78747217 0.21252783 0.50000000 1.0 P P13 1 0.21252783 0.78747217 0.50000000 1.0