# generated using pymatgen data_Rb2Cu2(MoO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.25789498 _cell_length_b 14.25789498 _cell_length_c 19.56352895 _cell_angle_alpha 73.12033137 _cell_angle_beta 73.12033137 _cell_angle_gamma 20.85792075 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2Cu2(MoO4)3 _chemical_formula_sum 'Rb8 Cu8 Mo12 O48' _cell_volume 1352.90393495 _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 Rb Rb0 1 0.87769100 0.48391100 0.72659000 1.0 Rb Rb1 1 0.79598400 0.20401600 0.75000000 1.0 Rb Rb2 1 0.51608900 0.12230900 0.77341000 1.0 Rb Rb3 1 0.20401600 0.79598400 0.25000000 1.0 Rb Rb4 1 0.12230900 0.51608900 0.27341000 1.0 Rb Rb5 1 0.00000000 0.50000000 0.00000000 1.0 Rb Rb6 1 0.48391100 0.87769100 0.22659000 1.0 Rb Rb7 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu8 1 0.16384900 0.63695100 0.04668000 1.0 Cu Cu9 1 0.36304900 0.83615100 0.45332000 1.0 Cu Cu10 1 0.31452800 0.83981000 0.04780300 1.0 Cu Cu11 1 0.83615100 0.36304900 0.95332000 1.0 Cu Cu12 1 0.16019000 0.68547200 0.45219700 1.0 Cu Cu13 1 0.83981000 0.31452800 0.54780300 1.0 Cu Cu14 1 0.63695100 0.16384900 0.54668000 1.0 Cu Cu15 1 0.68547200 0.16019000 0.95219700 1.0 Mo Mo16 1 0.14904100 0.62355100 0.86448200 1.0 Mo Mo17 1 0.06790400 0.56545400 0.61054700 1.0 Mo Mo18 1 0.37644900 0.85095900 0.63551800 1.0 Mo Mo19 1 0.93209600 0.43454600 0.38945300 1.0 Mo Mo20 1 0.21803400 0.74836500 0.57346100 1.0 Mo Mo21 1 0.43454600 0.93209600 0.88945300 1.0 Mo Mo22 1 0.56545400 0.06790400 0.11054700 1.0 Mo Mo23 1 0.85095900 0.37644900 0.13551800 1.0 Mo Mo24 1 0.25163500 0.78196600 0.92653900 1.0 Mo Mo25 1 0.62355100 0.14904100 0.36448200 1.0 Mo Mo26 1 0.78196600 0.25163500 0.42653900 1.0 Mo Mo27 1 0.74836500 0.21803400 0.07346100 1.0 O O28 1 0.10848300 0.17344100 0.45422400 1.0 O O29 1 0.46571700 0.06146700 0.08109400 1.0 O O30 1 0.71129500 0.59291100 0.88269500 1.0 O O31 1 0.90149500 0.01450600 0.48256000 1.0 O O32 1 0.53428300 0.93853300 0.91890600 1.0 O O33 1 0.82655900 0.89151700 0.04577600 1.0 O O34 1 0.59291100 0.71129500 0.38269500 1.0 O O35 1 0.38221000 0.96847300 0.63818200 1.0 O O36 1 0.09850500 0.98549400 0.51744000 1.0 O O37 1 0.67201400 0.91846200 0.19815900 1.0 O O38 1 0.95822600 0.93258000 0.63236600 1.0 O O39 1 0.38147900 0.50996400 0.52621400 1.0 O O40 1 0.89151700 0.82655900 0.54577600 1.0 O O41 1 0.50996400 0.38147900 0.02621400 1.0 O O42 1 0.34905500 0.41615400 0.94378300 1.0 O O43 1 0.28870500 0.40708900 0.11730500 1.0 O O44 1 0.58384600 0.65094500 0.55621700 1.0 O O45 1 0.54293200 0.44975200 0.37346800 1.0 O O46 1 0.49753900 0.33743600 0.28377200 1.0 O O47 1 0.49003600 0.61852100 0.97378600 1.0 O O48 1 0.66256400 0.50246100 0.21622800 1.0 O O49 1 0.03384800 0.13291500 0.62996200 1.0 O O50 1 0.17344100 0.10848300 0.95422400 1.0 O O51 1 0.06146700 0.46571700 0.58109400 1.0 O O52 1 0.44975200 0.54293200 0.87346800 1.0 O O53 1 0.06742000 0.04177400 0.86763400 1.0 O O54 1 0.13291500 0.03384800 0.12996200 1.0 O O55 1 0.91846200 0.67201400 0.69815900 1.0 O O56 1 0.61779000 0.03152700 0.36181800 1.0 O O57 1 0.93258000 0.95822600 0.13236600 1.0 O O58 1 0.50246100 0.66256400 0.71622800 1.0 O O59 1 0.61852100 0.49003600 0.47378600 1.0 O O60 1 0.86708500 0.96615200 0.87003800 1.0 O O61 1 0.55024800 0.45706800 0.12653200 1.0 O O62 1 0.08153800 0.32798600 0.30184100 1.0 O O63 1 0.41615400 0.34905500 0.44378300 1.0 O O64 1 0.98549400 0.09850500 0.01744000 1.0 O O65 1 0.93853300 0.53428300 0.41890600 1.0 O O66 1 0.03152700 0.61779000 0.86181800 1.0 O O67 1 0.04177400 0.06742000 0.36763400 1.0 O O68 1 0.96847300 0.38221000 0.13818200 1.0 O O69 1 0.96615200 0.86708500 0.37003800 1.0 O O70 1 0.45706800 0.55024800 0.62653200 1.0 O O71 1 0.32798600 0.08153800 0.80184100 1.0 O O72 1 0.33743600 0.49753900 0.78377200 1.0 O O73 1 0.01450600 0.90149500 0.98256000 1.0 O O74 1 0.40708900 0.28870500 0.61730500 1.0 O O75 1 0.65094500 0.58384600 0.05621700 1.0