data_MnIn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Si
_chemical_formula_sum   'Mn1 In2 Si1'
_cell_volume   78.22
_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  0.92  0.0  0.0  1.0
  In  In0  1  0.46  0.11  0.59  1.0
  In  In1  1  0.46  0.89  0.59  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_MnIn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   110.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2Si
_chemical_formula_sum   'Mn1 In2 Si1'
_cell_volume   78.22
_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  0.92  0.0  1.0
  In  In1  1  0.59  0.46  0.89  1.0
  In  In2  1  0.59  0.46  0.11  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Mn In In Si