# generated using pymatgen data_TmCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21512800 _cell_length_b 7.19773100 _cell_length_c 12.21789700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmCl2 _chemical_formula_sum 'Tm8 Cl16' _cell_volume 546.56541665 _cell_formula_units_Z 8 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 0.31906300 0.04588600 0.40249600 1.0 Tm Tm1 1 0.81906300 0.95411400 0.09750400 1.0 Tm Tm2 1 0.18093700 0.54588600 0.59750400 1.0 Tm Tm3 1 0.68093700 0.45411400 0.90249600 1.0 Tm Tm4 1 0.68093700 0.95411400 0.59750400 1.0 Tm Tm5 1 0.18093700 0.04588600 0.90249600 1.0 Tm Tm6 1 0.81906300 0.45411400 0.40249600 1.0 Tm Tm7 1 0.31906300 0.54588600 0.09750400 1.0 Cl Cl8 1 0.02141600 0.20573400 0.54357000 1.0 Cl Cl9 1 0.52141600 0.79426600 0.95643000 1.0 Cl Cl10 1 0.47858400 0.70573400 0.45643000 1.0 Cl Cl11 1 0.97858400 0.29426600 0.04357000 1.0 Cl Cl12 1 0.97858400 0.79426600 0.45643000 1.0 Cl Cl13 1 0.47858400 0.20573400 0.04357000 1.0 Cl Cl14 1 0.52141600 0.29426600 0.54357000 1.0 Cl Cl15 1 0.02141600 0.70573400 0.95643000 1.0 Cl Cl16 1 0.19358200 0.87442200 0.20750400 1.0 Cl Cl17 1 0.69358200 0.12557800 0.29249600 1.0 Cl Cl18 1 0.30641800 0.37442200 0.79249600 1.0 Cl Cl19 1 0.80641800 0.62557800 0.70750400 1.0 Cl Cl20 1 0.80641800 0.12557800 0.79249600 1.0 Cl Cl21 1 0.30641800 0.87442200 0.70750400 1.0 Cl Cl22 1 0.69358200 0.62557800 0.20750400 1.0 Cl Cl23 1 0.19358200 0.37442200 0.29249600 1.0