# generated using pymatgen
data_Mg3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.96180001
_cell_length_b   10.96262894
_cell_length_c   5.26949300
_cell_angle_alpha   90.00429462
_cell_angle_beta   89.99868585
_cell_angle_gamma   120.00222294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Sn
_chemical_formula_sum   'Mg18 Sn6'
_cell_volume   548.38595447
_cell_formula_units_Z   6
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
  Mg  Mg0  1  0.50155700  0.82972800  0.25101100  1.0
  Mg  Mg1  1  0.32815600  0.49837500  0.25106800  1.0
  Mg  Mg2  1  0.17024500  0.67182300  0.25104000  1.0
  Mg  Mg3  1  0.49844400  0.17026400  0.74898800  1.0
  Mg  Mg4  1  0.67183500  0.50162400  0.74896600  1.0
  Mg  Mg5  1  0.82976000  0.32819000  0.74896100  1.0
  Mg  Mg6  1  0.16824400  0.16303900  0.25102500  1.0
  Mg  Mg7  1  0.99478000  0.83170300  0.25100500  1.0
  Mg  Mg8  1  0.83692000  0.00517800  0.25100200  1.0
  Mg  Mg9  1  0.83174300  0.83695000  0.74898200  1.0
  Mg  Mg10  1  0.00521900  0.16831100  0.74898200  1.0
  Mg  Mg11  1  0.16308500  0.99482200  0.74898700  1.0
  Mg  Mg12  1  0.83492400  0.49632600  0.25087500  1.0
  Mg  Mg13  1  0.66141000  0.16502900  0.25086200  1.0
  Mg  Mg14  1  0.50366200  0.33856300  0.25092900  1.0
  Mg  Mg15  1  0.16506100  0.50366500  0.74910600  1.0
  Mg  Mg16  1  0.33859600  0.83496500  0.74911100  1.0
  Mg  Mg17  1  0.49634100  0.66142400  0.74905700  1.0
  Sn  Sn18  1  0.66673700  0.66680300  0.25202600  1.0
  Sn  Sn19  1  0.00008700  0.33324500  0.25216800  1.0
  Sn  Sn20  1  0.33311800  0.99988900  0.25220500  1.0
  Sn  Sn21  1  0.33325400  0.33319100  0.74801000  1.0
  Sn  Sn22  1  0.99993800  0.66678000  0.74787900  1.0
  Sn  Sn23  1  0.66688400  0.00011200  0.74775400  1.0