# generated using pymatgen data_Rb2CaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76585100 _cell_length_b 3.76585100 _cell_length_c 16.94526900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2CaAs2 _chemical_formula_sum 'Rb2 Ca1 As2' _cell_volume 240.31159882 _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 Rb Rb0 1 0.50000000 0.50000000 0.64873700 1.0 Rb Rb1 1 0.50000000 0.50000000 0.35126300 1.0 Ca Ca2 1 0.50000000 0.50000000 0.00000000 1.0 As As3 1 0.50000000 0.50000000 0.16237400 1.0 As As4 1 0.50000000 0.50000000 0.83762600 1.0