data_MnAlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlSi
_chemical_formula_sum   'Mn1 Al1 Si1'
_cell_volume   39.64
_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  Mn1  1  0.38  0.8  0.06  1.0
  Al  Al0  1  0.0  0.0  0.09  1.0
  Si  Si2  1  0.0  0.59  0.86  1.0

data_MnAlSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlSi
_chemical_formula_sum   'Mn1 Al1 Si1'
_cell_volume   39.64
_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  0.38  0.8  0.06  1.0
  Al  Al1  1  0.0  0.0  0.09  1.0
  Si  Si2  1  0.0  0.59  0.86  1.0

Mn Al Si
Mn Al Si 0 2 o o - 0 1 o + o 0 1 + + o 1 2 o - - 