data_Mn2GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.22
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaSi
_chemical_formula_sum   'Mn2 Ga1 Si1'
_cell_volume   48.61
_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  0.0  0.0  0.27  1.0
  Mn  Mn2  1  0.43  0.61  0.39  1.0
  Ga  Ga0  1  0.43  0.61  0.03  1.0
  Si  Si3  1  0.0  0.0  0.51  1.0

data_Mn2GaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.22
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaSi
_chemical_formula_sum   'Mn2 Ga1 Si1'
_cell_volume   48.61
_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  0.0  0.27  1.0
  Mn  Mn1  1  0.43  0.61  0.39  1.0
  Ga  Ga2  1  0.43  0.61  0.03  1.0
  Si  Si3  1  0.0  0.0  0.51  1.0

Mn Mn Ga Si
Mn Mn Ga Si 0 3 o o o 0 1 o - o 0 1 - - o 0 2 o - o 1 3 o + o 1 3 + + o 1 2 o o o 