data_MgSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   9.98
_cell_angle_alpha   95.1
_cell_angle_beta   95.1
_cell_angle_gamma   36.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi
_chemical_formula_sum   'Mg6 Si6'
_cell_volume   227.46
_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  0.99  0.0  0.33  1.0
  Mg  Mg1  1  0.57  0.0  0.3  1.0
  Mg  Mg2  1  0.82  0.0  0.42  1.0
  Mg  Mg3  1  0.87  0.0  0.62  1.0
  Mg  Mg4  1  0.94  0.0  0.55  1.0
  Mg  Mg5  1  0.54  0.0  0.69  1.0
  Si  Si6  1  0.78  0.0  0.62  1.0
  Si  Si7  1  0.68  0.0  0.28  1.0
  Si  Si8  1  0.06  0.0  0.39  1.0
  Si  Si9  1  0.44  0.0  0.55  1.0
  Si  Si10  1  0.29  0.0  0.67  1.0
  Si  Si11  1  0.35  0.0  0.16  1.0

data_MgSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   6.18
_cell_length_c   9.98
_cell_angle_alpha   95.1
_cell_angle_beta   90.0
_cell_angle_gamma   108.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSi
_chemical_formula_sum   'Mg6 Si6'
_cell_volume   227.46
_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  0.0  0.01  0.67  1.0
  Mg  Mg1  1  0.0  0.06  0.45  1.0
  Mg  Mg2  1  0.0  0.13  0.38  1.0
  Mg  Mg3  1  0.0  0.18  0.58  1.0
  Mg  Mg4  1  0.0  0.43  0.7  1.0
  Mg  Mg5  1  0.0  0.46  0.31  1.0
  Si  Si6  1  0.0  0.22  0.38  1.0
  Si  Si7  1  0.0  0.32  0.72  1.0
  Si  Si8  1  0.0  0.56  0.45  1.0
  Si  Si9  1  0.0  0.65  0.84  1.0
  Si  Si10  1  0.0  0.71  0.33  1.0
  Si  Si11  1  0.0  0.94  0.61  1.0

Mg Mg Mg Mg Mg Mg Si Si Si Si Si Si
Mg Mg Mg Mg Mg Mg Si Si Si Si Si Si 0 8 + o o 0 2 o o o 1 7 o o o 1 11 o o o 2 7 o o o 2 8 + o o 2 4 o o o 3 6 o o o 3 4 o o o 5 9 o o o 5 10 o o o 5 6 o o o 9 10 o o o 