# generated using pymatgen data_Sr2Ca3Pt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66270630 _cell_length_b 7.86931994 _cell_length_c 15.00008232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca3Pt4 _chemical_formula_sum 'Sr8 Ca12 Pt16' _cell_volume 904.50927578 _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 Sr Sr0 1 0.49284716 0.32275070 0.90322364 1.0 Sr Sr1 1 0.99284716 0.17724930 0.59677636 1.0 Sr Sr2 1 0.50715284 0.67724930 0.40322364 1.0 Sr Sr3 1 0.00715284 0.82275070 0.09677636 1.0 Sr Sr4 1 0.50715284 0.67724930 0.09677636 1.0 Sr Sr5 1 0.00715284 0.82275070 0.40322364 1.0 Sr Sr6 1 0.49284716 0.32275070 0.59677636 1.0 Sr Sr7 1 0.99284716 0.17724930 0.90322364 1.0 Ca Ca8 1 0.33207086 0.82748769 0.87743922 1.0 Ca Ca9 1 0.83207086 0.67251231 0.62256078 1.0 Ca Ca10 1 0.66792914 0.17251231 0.37744022 1.0 Ca Ca11 1 0.16792914 0.32748769 0.12255978 1.0 Ca Ca12 1 0.66792914 0.17251231 0.12255978 1.0 Ca Ca13 1 0.16792914 0.32748769 0.37744022 1.0 Ca Ca14 1 0.33207086 0.82748769 0.62256078 1.0 Ca Ca15 1 0.83207086 0.67251231 0.87743922 1.0 Ca Ca16 1 0.16807269 0.49580005 0.75000000 1.0 Ca Ca17 1 0.66807269 0.00419995 0.75000000 1.0 Ca Ca18 1 0.83192731 0.50419995 0.25000000 1.0 Ca Ca19 1 0.33192731 0.99580005 0.25000000 1.0 Pt Pt20 1 0.34173962 0.03480869 0.04155908 1.0 Pt Pt21 1 0.84173962 0.46519131 0.45844092 1.0 Pt Pt22 1 0.65826038 0.96519131 0.54155908 1.0 Pt Pt23 1 0.15826038 0.53480869 0.95844092 1.0 Pt Pt24 1 0.65826038 0.96519131 0.95844092 1.0 Pt Pt25 1 0.15826038 0.53480869 0.54155908 1.0 Pt Pt26 1 0.34173962 0.03480869 0.45844092 1.0 Pt Pt27 1 0.84173962 0.46519131 0.04155908 1.0 Pt Pt28 1 0.53991229 0.61878529 0.75000000 1.0 Pt Pt29 1 0.03991229 0.88121471 0.75000000 1.0 Pt Pt30 1 0.46008771 0.38121471 0.25000000 1.0 Pt Pt31 1 0.96008771 0.11878529 0.25000000 1.0 Pt Pt32 1 0.28727844 0.12610996 0.75000000 1.0 Pt Pt33 1 0.78727844 0.37389004 0.75000000 1.0 Pt Pt34 1 0.71272156 0.87389004 0.25000000 1.0 Pt Pt35 1 0.21272156 0.62610996 0.25000000 1.0