data_Mn3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Si
_chemical_formula_sum   'Mn6 Si2'
_cell_volume   91.42
_cell_formula_units_Z   2
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  0.54  0.95  0.03  1.0
  Mn  Mn1  1  0.0  0.45  0.08  1.0
  Mn  Mn2  1  0.82  0.72  0.03  1.0
  Mn  Mn3  1  0.72  0.67  0.08  1.0
  Mn  Mn4  1  0.28  0.67  0.08  1.0
  Mn  Mn5  1  0.25  0.72  0.03  1.0
  Si  Si6  1  0.0  0.93  0.03  1.0
  Si  Si7  1  0.54  0.46  0.08  1.0

data_Mn3Si
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.1
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mn3Si
_chemical_formula_sum   'Mn6 Si2'
_cell_volume   91.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.03  0.02  0.47  1.0
  Mn  Mn1  2  0.03  0.45  0.47  1.0
  Mn  Mn2  2  0.03  0.73  0.25  1.0
  Si  Si3  2  0.03  0.27  0.27  1.0

Mn Mn Mn Mn Mn Mn Si Si