# generated using pymatgen data_Tm2Lu2BBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86302971 _cell_length_b 12.80088465 _cell_length_c 13.24453139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Lu2BBr6 _chemical_formula_sum 'Tm4 Lu4 B2 Br12' _cell_volume 654.94469596 _cell_formula_units_Z 2 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 Tm Tm0 1 0.50000000 0.12310408 0.85560031 1.0 Tm Tm1 1 0.50000000 0.87689592 0.14439969 1.0 Tm Tm2 1 0.50000000 0.62310408 0.64439969 1.0 Tm Tm3 1 0.50000000 0.37689592 0.35560031 1.0 Lu Lu4 1 0.00000000 0.09942721 0.07923257 1.0 Lu Lu5 1 0.00000000 0.90057279 0.92076743 1.0 Lu Lu6 1 0.00000000 0.59942721 0.42076743 1.0 Lu Lu7 1 0.00000000 0.40057279 0.57923257 1.0 B B8 1 0.50000000 0.00000000 0.00000000 1.0 B B9 1 0.50000000 0.50000000 0.50000000 1.0 Br Br10 1 0.50000000 0.26960209 0.68138891 1.0 Br Br11 1 0.50000000 0.73039791 0.31861109 1.0 Br Br12 1 0.50000000 0.76960209 0.81861109 1.0 Br Br13 1 0.50000000 0.23039791 0.18138891 1.0 Br Br14 1 0.00000000 0.26347838 0.93229456 1.0 Br Br15 1 0.00000000 0.73652162 0.06770544 1.0 Br Br16 1 0.00000000 0.48185537 0.23704396 1.0 Br Br17 1 0.00000000 0.51814463 0.76295604 1.0 Br Br18 1 0.00000000 0.98185537 0.26295604 1.0 Br Br19 1 0.00000000 0.01814463 0.73704396 1.0 Br Br20 1 0.00000000 0.23652162 0.43229456 1.0 Br Br21 1 0.00000000 0.76347838 0.56770544 1.0