data_Mn5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Si3
_chemical_formula_sum   'Mn5 Si3'
_cell_volume   93.11
_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  0.37  0.0  0.0  1.0
  Mn  Mn1  1  0.68  0.13  0.0  1.0
  Mn  Mn2  1  0.68  0.87  0.0  1.0
  Mn  Mn3  1  0.26  0.0  0.85  1.0
  Mn  Mn4  1  0.47  0.0  0.85  1.0
  Si  Si5  1  0.0  0.0  0.0  1.0
  Si  Si6  1  0.37  0.62  0.85  1.0
  Si  Si7  1  0.37  0.38  0.85  1.0

data_Mn5Si3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   96.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Si3
_chemical_formula_sum   'Mn5 Si3'
_cell_volume   93.11
_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  0.0  0.68  0.13  1.0
  Mn  Mn1  1  0.0  0.37  0.0  1.0
  Mn  Mn2  1  0.0  0.68  0.87  1.0
  Mn  Mn3  1  0.85  0.26  0.0  1.0
  Mn  Mn4  1  0.85  0.47  0.0  1.0
  Si  Si5  1  0.0  0.0  0.0  1.0
  Si  Si6  1  0.85  0.37  0.38  1.0
  Si  Si7  1  0.85  0.37  0.62  1.0

Mn Mn Mn Mn Mn Si Si Si