data_[Mn9Ni12Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1770]
_cell_length_b [4.1770]
_cell_length_c [20.8280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn3Ni4Sn]
_chemical_formula_sum '[Mn9 Ni12 Sn3]'
_cell_volume [314.7045]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2478  1.0
  Mn  Mn1  3  -0.0000  -0.0000  0.5000  1.0
  Ni  Ni2  6  0.0000  0.0000  0.1290  1.0
  Ni  Ni3  6  0.0000  0.0000  0.3810  1.0
  Sn  Sn4  3  0.0000  0.0000  0.0000  1.0
]