data_MnZn2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2In
_chemical_formula_sum   'Mn1 Zn2 In1'
_cell_volume   67.4
_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  0.0  1.0
  Zn  Zn2  1  0.39  0.95  0.55  1.0
  Zn  Zn3  1  0.39  0.05  0.55  1.0
  In  In0  1  0.78  0.0  0.0  1.0

data_MnZn2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   109.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2In
_chemical_formula_sum   'Mn1 Zn2 In1'
_cell_volume   67.4
_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  0.0  1.0
  Zn  Zn1  1  0.55  0.39  0.95  1.0
  Zn  Zn2  1  0.55  0.39  0.05  1.0
  In  In3  1  0.0  0.78  0.0  1.0

Mn Zn Zn In