data_[Mn8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0526]
_cell_length_b [3.2641]
_cell_length_c [5.9422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2In]
_chemical_formula_sum '[Mn8 In4]'
_cell_volume [184.3686]
_cell_formula_units_Z [4]
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  4  0.0081  0.5000  0.7103  1
  Mn  Mn1  4  0.1550  0.0000  0.5694  1
  In  In2  4  0.1581  0.0000  0.1029  1
]