data_Mg6SnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   60.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6SnW
_chemical_formula_sum   'Mg6 Sn1 W1'
_cell_volume   163.05
_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  0.0  0.49  0.38  1.0
  Mg  Mg1  1  0.0  0.51  0.38  1.0
  Mg  Mg2  1  0.0  0.0  0.05  1.0
  Mg  Mg3  1  0.48  0.53  0.16  1.0
  Mg  Mg4  1  0.48  0.47  0.16  1.0
  Mg  Mg5  1  0.48  0.0  0.82  1.0
  Sn  Sn6  1  0.0  0.0  0.86  1.0
  W  W7  1  0.48  0.0  0.52  1.0

data_Mg6SnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   119.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6SnW
_chemical_formula_sum   'Mg6 Sn1 W1'
_cell_volume   163.05
_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  -0.0  0.51  0.62  1.0
  Mg  Mg1  1  0.0  0.0  0.95  1.0
  Mg  Mg2  1  0.0  0.49  0.62  1.0
  Mg  Mg3  1  0.52  0.0  0.18  1.0
  Mg  Mg4  1  0.52  0.47  0.84  1.0
  Mg  Mg5  1  0.52  0.53  0.84  1.0
  Sn  Sn6  1  0.0  0.0  0.14  1.0
  W  W7  1  0.52  0.0  0.48  1.0

Mg Mg Mg Mg Mg Mg Sn W