data_[Mn10In10Ni20]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0727]
_cell_length_b [5.8156]
_cell_length_c [4.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnInNi2]
_chemical_formula_sum '[Mn10 In10 Ni20]'
_cell_volume [553.2948]
_cell_formula_units_Z [10]
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  0.1001  0.5000  0.5457  1.0
  Mn  Mn1  4  0.1996  0.0000  0.1702  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.1002  0.0000  0.5325  1.0
  In  In4  4  0.1992  0.5000  0.1669  1.0
  In  In5  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni6  8  0.0998  0.2488  0.0269  1.0
  Ni  Ni7  8  0.2007  0.2499  0.6663  1.0
  Ni  Ni8  4  0.0000  0.2500  0.5000  1.0
]