# generated using pymatgen data_LaMo2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89433743 _cell_length_b 8.89433743 _cell_length_c 18.96769400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999576 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMo2O5 _chemical_formula_sum 'La12 Mo24 O60' _cell_volume 1299.48834291 _cell_formula_units_Z 12 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 La La0 1 0.33333300 0.66666700 0.99872400 1.0 La La1 1 0.66666700 0.33333300 0.49872400 1.0 La La2 1 0.00902200 0.50451100 0.34860600 1.0 La La3 1 0.50451100 0.00902200 0.84860600 1.0 La La4 1 0.49548900 0.50451100 0.34860600 1.0 La La5 1 0.99097800 0.49548900 0.84860600 1.0 La La6 1 0.00000000 0.00000000 0.27301200 1.0 La La7 1 0.50451100 0.49548900 0.84860600 1.0 La La8 1 0.66666700 0.33333300 0.01229400 1.0 La La9 1 0.33333300 0.66666700 0.51229400 1.0 La La10 1 0.00000000 0.00000000 0.77301100 1.0 La La11 1 0.49548900 0.99097800 0.34860600 1.0 Mo Mo12 1 0.89238200 0.78476300 0.05291200 1.0 Mo Mo13 1 0.78494200 0.21505800 0.68375500 1.0 Mo Mo14 1 0.10619500 0.89380500 0.94000400 1.0 Mo Mo15 1 0.44873400 0.89746800 0.67584700 1.0 Mo Mo16 1 0.55126600 0.44873400 0.17584700 1.0 Mo Mo17 1 0.89380500 0.78760900 0.44000400 1.0 Mo Mo18 1 0.21505800 0.78494200 0.18375500 1.0 Mo Mo19 1 0.78494200 0.56988500 0.68375500 1.0 Mo Mo20 1 0.55126600 0.10253200 0.17584700 1.0 Mo Mo21 1 0.56988500 0.78494200 0.18375500 1.0 Mo Mo22 1 0.21505800 0.43011500 0.18375500 1.0 Mo Mo23 1 0.89746800 0.44873400 0.17584700 1.0 Mo Mo24 1 0.89380500 0.10619500 0.44000400 1.0 Mo Mo25 1 0.10761800 0.21523700 0.55291200 1.0 Mo Mo26 1 0.21523700 0.10761800 0.05291200 1.0 Mo Mo27 1 0.21239100 0.10619500 0.44000400 1.0 Mo Mo28 1 0.43011500 0.21505800 0.68375500 1.0 Mo Mo29 1 0.44873400 0.55126600 0.67584700 1.0 Mo Mo30 1 0.10253200 0.55126600 0.67584700 1.0 Mo Mo31 1 0.10761800 0.89238200 0.55291200 1.0 Mo Mo32 1 0.10619500 0.21239100 0.94000400 1.0 Mo Mo33 1 0.78476300 0.89238200 0.55291200 1.0 Mo Mo34 1 0.78760900 0.89380500 0.94000400 1.0 Mo Mo35 1 0.89238200 0.10761800 0.05291200 1.0 O O36 1 0.10235600 0.89764400 0.36982300 1.0 O O37 1 0.89764400 0.10235600 0.86982300 1.0 O O38 1 0.56573800 0.43426200 0.61688400 1.0 O O39 1 0.00472200 0.66850100 0.24617100 1.0 O O40 1 0.20471300 0.10235600 0.86982300 1.0 O O41 1 0.10506400 0.21012700 0.11760800 1.0 O O42 1 0.67513100 0.66688200 0.99145700 1.0 O O43 1 0.33622100 0.33149900 0.74617100 1.0 O O44 1 0.10506400 0.89493600 0.11760800 1.0 O O45 1 0.22539200 0.45078300 0.60972000 1.0 O O46 1 0.89493600 0.78987300 0.61760800 1.0 O O47 1 0.77460800 0.22539200 0.10972000 1.0 O O48 1 0.45398500 0.22699300 0.39081500 1.0 O O49 1 0.66666700 0.33333300 0.23354000 1.0 O O50 1 0.77300700 0.22699300 0.39081500 1.0 O O51 1 0.78987300 0.89493600 0.11760800 1.0 O O52 1 0.66666700 0.33333300 0.89350500 1.0 O O53 1 0.66688200 0.67513100 0.49145700 1.0 O O54 1 0.22699300 0.77300700 0.89081500 1.0 O O55 1 0.33149900 0.33622100 0.24617100 1.0 O O56 1 0.32486900 0.33311800 0.49145700 1.0 O O57 1 0.22539200 0.77460800 0.60972000 1.0 O O58 1 0.79528700 0.89764400 0.36982300 1.0 O O59 1 0.54921700 0.77460800 0.60972000 1.0 O O60 1 0.67513100 0.00824900 0.99145700 1.0 O O61 1 0.66850100 0.66377900 0.74617100 1.0 O O62 1 0.66688200 0.99175100 0.49145700 1.0 O O63 1 0.33149900 0.99527800 0.24617100 1.0 O O64 1 0.33622100 0.00472200 0.74617100 1.0 O O65 1 0.66666700 0.33333300 0.74123800 1.0 O O66 1 0.21012700 0.10506400 0.61760800 1.0 O O67 1 0.33333300 0.66666700 0.24123800 1.0 O O68 1 0.33333300 0.66666700 0.39350500 1.0 O O69 1 0.89764400 0.79528700 0.86982300 1.0 O O70 1 0.43426200 0.56573800 0.11688400 1.0 O O71 1 0.32486900 0.99175100 0.49145700 1.0 O O72 1 0.13147600 0.56573800 0.11688400 1.0 O O73 1 0.77460800 0.54921700 0.10972000 1.0 O O74 1 0.99175100 0.32486900 0.99145700 1.0 O O75 1 0.33333300 0.66666700 0.73354000 1.0 O O76 1 0.10235600 0.20471300 0.36982300 1.0 O O77 1 0.99527800 0.33149900 0.74617100 1.0 O O78 1 0.86852400 0.43426200 0.61688400 1.0 O O79 1 0.00472200 0.33622100 0.24617100 1.0 O O80 1 0.45078300 0.22539200 0.10972000 1.0 O O81 1 0.33311800 0.32486900 0.99145700 1.0 O O82 1 0.89493600 0.10506400 0.61760800 1.0 O O83 1 0.54601500 0.77300700 0.89081500 1.0 O O84 1 0.66377900 0.66850100 0.24617100 1.0 O O85 1 0.00824900 0.33311800 0.49145700 1.0 O O86 1 0.77300700 0.54601500 0.39081500 1.0 O O87 1 0.33311800 0.00824900 0.99145700 1.0 O O88 1 0.22699300 0.45398500 0.89081500 1.0 O O89 1 0.66850100 0.00472200 0.74617100 1.0 O O90 1 0.66377900 0.99527800 0.24617100 1.0 O O91 1 0.99175100 0.66688200 0.99145700 1.0 O O92 1 0.56573800 0.13147600 0.61688400 1.0 O O93 1 0.00824900 0.67513100 0.49145700 1.0 O O94 1 0.43426200 0.86852400 0.11688400 1.0 O O95 1 0.99527800 0.66377900 0.74617100 1.0