data_Mn2InSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   135.87
_cell_angle_beta   135.87
_cell_angle_gamma   64.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InSi
_chemical_formula_sum   'Mn2 In1 Si1'
_cell_volume   60.28
_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  0.25  1.0
  Mn  Mn2  1  0.0  0.88  0.12  1.0
  In  In0  1  0.88  0.0  0.12  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Mn2InSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   5.01
_cell_angle_alpha   112.06
_cell_angle_beta   112.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2InSi
_chemical_formula_sum   'Mn2 In1 Si1'
_cell_volume   60.28
_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  0.24  0.12  0.24  1.0
  Mn  Mn1  1  0.25  0.25  0.25  1.0
  In  In2  1  0.12  0.24  0.24  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

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