data_Mn8Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   95.74
_cell_angle_beta   95.74
_cell_angle_gamma   143.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn8Si
_chemical_formula_sum   'Mn8 Si1'
_cell_volume   97.64
_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
  Mn  Mn0  1  0.28  0.72  0.76  1.0
  Mn  Mn1  1  0.72  0.28  0.76  1.0
  Mn  Mn2  1  0.54  0.0  0.0  1.0
  Mn  Mn3  1  0.28  0.28  0.76  1.0
  Mn  Mn4  1  0.0  0.54  0.0  1.0
  Mn  Mn5  1  0.45  0.45  0.0  1.0
  Mn  Mn6  1  0.92  0.0  0.0  1.0
  Mn  Mn7  1  0.0  0.92  0.0  1.0
  Si  Si8  1  0.0  0.0  0.0  1.0

data_Mn8Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.51
_cell_length_b   10.54
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   108.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn8Si
_chemical_formula_sum   'Mn16 Si2'
_cell_volume   195.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  4  -0.0  0.28  0.24  1.0
  Mn  Mn1  4  0.04  0.04  0.0  1.0
  Mn  Mn2  4  0.23  0.23  0.0  1.0
  Mn  Mn3  2  0.05  0.5  0.0  1.0
  Mn  Mn4  2  0.22  0.5  0.24  1.0
  Si  Si5  2  0.0  0.0  0.0  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Si
Mn Mn Mn Mn Mn Mn Mn Mn Si 0 2 o + + 1 4 + o + 3 5 o o + 6 8 + o o 7 8 o + o 