# generated using pymatgen
data_Ca16Mg3Sn13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25549085
_cell_length_b   9.25549085
_cell_length_c   17.53042200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   141.85994076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca16Mg3Sn13
_chemical_formula_sum   'Ca16 Mg3 Sn13'
_cell_volume   927.44608038
_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
  Ca  Ca0  1  0.06762400  0.43371600  0.39880800  1.0
  Ca  Ca1  1  0.56715600  0.93277300  0.89994700  1.0
  Ca  Ca2  1  0.43371600  0.06762400  0.60119200  1.0
  Ca  Ca3  1  0.93277300  0.56715600  0.10005300  1.0
  Ca  Ca4  1  0.85033800  0.64950100  0.68341700  1.0
  Ca  Ca5  1  0.35025400  0.14884100  0.18238700  1.0
  Ca  Ca6  1  0.64950100  0.85033800  0.31658300  1.0
  Ca  Ca7  1  0.14884100  0.35025400  0.81761300  1.0
  Ca  Ca8  1  0.64950100  0.85033800  0.68341700  1.0
  Ca  Ca9  1  0.14884100  0.35025400  0.18238700  1.0
  Ca  Ca10  1  0.85033800  0.64950100  0.31658300  1.0
  Ca  Ca11  1  0.35025400  0.14884100  0.81761300  1.0
  Ca  Ca12  1  0.43371600  0.06762400  0.39880800  1.0
  Ca  Ca13  1  0.93277300  0.56715600  0.89994700  1.0
  Ca  Ca14  1  0.06762400  0.43371600  0.60119200  1.0
  Ca  Ca15  1  0.56715600  0.93277300  0.10005300  1.0
  Mg  Mg16  1  0.50021200  0.50021200  0.00000000  1.0
  Mg  Mg17  1  0.49944000  0.49944000  0.50000000  1.0
  Mg  Mg18  1  0.99971400  0.99971400  0.00000000  1.0
  Sn  Sn19  1  0.25208700  0.25208700  0.65317100  1.0
  Sn  Sn20  1  0.74899300  0.74899300  0.15355300  1.0
  Sn  Sn21  1  0.25208700  0.25208700  0.34682900  1.0
  Sn  Sn22  1  0.74899300  0.74899300  0.84644700  1.0
  Sn  Sn23  1  0.59548500  0.90261300  0.50000000  1.0
  Sn  Sn24  1  0.09687800  0.40223900  0.00000000  1.0
  Sn  Sn25  1  0.90261300  0.59548500  0.50000000  1.0
  Sn  Sn26  1  0.40223900  0.09687800  0.00000000  1.0
  Sn  Sn27  1  0.25011700  0.74983800  0.74959900  1.0
  Sn  Sn28  1  0.74983800  0.25011700  0.25040100  1.0
  Sn  Sn29  1  0.74983800  0.25011700  0.74959900  1.0
  Sn  Sn30  1  0.25011700  0.74983800  0.25040100  1.0
  Sn  Sn31  1  0.00094400  0.00094400  0.50000000  1.0