# generated using pymatgen
data_MgZr6Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31365278
_cell_length_b   6.31365268
_cell_length_c   6.31365244
_cell_angle_alpha   60.00000129
_cell_angle_beta   60.00000182
_cell_angle_gamma   59.99999767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZr6Sn
_chemical_formula_sum   'Mg1 Zr6 Sn1'
_cell_volume   177.96190945
_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
  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.50000000  0.00000000  0.00000000  1.0
  Zr  Zr2  1  0.00000000  0.50000000  0.50000000  1.0
  Zr  Zr3  1  0.00000000  0.50000000  0.00000000  1.0
  Zr  Zr4  1  0.50000000  0.00000000  0.50000000  1.0
  Zr  Zr5  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr6  1  0.50000000  0.50000000  0.00000000  1.0
  Sn  Sn7  1  0.50000000  0.50000000  0.50000000  1.0