data_MnGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   2.91
_cell_angle_alpha   100.83
_cell_angle_beta   100.83
_cell_angle_gamma   118.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Si
_chemical_formula_sum   'Mn1 Ga2 Si1'
_cell_volume   61.33
_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  Mn2  1  0.6  0.0  0.0  1.0
  Ga  Ga0  1  0.77  0.18  0.36  1.0
  Ga  Ga1  1  0.77  0.82  0.36  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_MnGa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.94
_cell_length_c   5.07
_cell_angle_alpha   115.36
_cell_angle_beta   100.83
_cell_angle_gamma   101.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2Si
_chemical_formula_sum   'Mn1 Ga2 Si1'
_cell_volume   61.33
_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  0.6  1.0
  Ga  Ga1  1  0.18  0.82  0.59  1.0
  Ga  Ga2  1  0.53  0.18  0.94  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

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