# generated using pymatgen data_Ba2Ca2Tl2Cr3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92378000 _cell_length_b 3.93726183 _cell_length_c 19.15541512 _cell_angle_alpha 95.88812934 _cell_angle_beta 95.74454099 _cell_angle_gamma 90.05522557 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ca2Tl2Cr3O10 _chemical_formula_sum 'Ba2 Ca2 Tl2 Cr3 O10' _cell_volume 292.87256178 _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 Ba Ba0 1 0.12283100 0.09359700 0.29011200 1.0 Ba Ba1 1 0.87809800 0.78780900 0.70944500 1.0 Ca Ca2 1 0.96799600 0.88145800 0.90569600 1.0 Ca Ca3 1 0.02803200 0.98820900 0.09275200 1.0 Tl Tl4 1 0.71911500 0.65193900 0.43989300 1.0 Tl Tl5 1 0.28700400 0.20901400 0.56015200 1.0 Cr Cr6 1 0.42858700 0.33677900 0.81388100 1.0 Cr Cr7 1 0.57028500 0.53843300 0.18524600 1.0 Cr Cr8 1 0.49188200 0.43023900 0.99955800 1.0 O O9 1 0.93806600 0.34413700 0.83157800 1.0 O O10 1 0.38223800 0.28652200 0.71290000 1.0 O O11 1 0.43799200 0.84730600 0.83548600 1.0 O O12 1 0.78869400 0.83206900 0.56668900 1.0 O O13 1 0.49182200 0.93246400 0.00625100 1.0 O O14 1 0.56137100 0.03031300 0.16838600 1.0 O O15 1 0.61750000 0.59068700 0.28562300 1.0 O O16 1 0.05817900 0.52497800 0.16207200 1.0 O O17 1 0.21555400 0.27061100 0.43229600 1.0 O O18 1 0.98775400 0.42452700 0.99294500 1.0