data_[Mn12Cr3Co30Sn15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2347]
_cell_length_b [4.2347]
_cell_length_c [51.8915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn4Cr(Co2Sn)5]
_chemical_formula_sum '[Mn12 Cr3 Co30 Sn15]'
_cell_volume [805.8805]
_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  0.2000  1.0
  Mn  Mn1  6  0.0000  0.0000  0.4000  1.0
  Cr  Cr2  3  0.0000  0.0000  0.0000  1.0
  Co  Co3  6  0.0000  0.0000  0.0500  1.0
  Co  Co4  6  0.0000  0.0000  0.1500  1.0
  Co  Co5  6  0.0000  0.0000  0.2500  1.0
  Co  Co6  6  0.0000  0.0000  0.3500  1.0
  Co  Co7  6  0.0000  0.0000  0.4500  1.0
  Sn  Sn8  6  0.0000  0.0000  0.1000  1.0
  Sn  Sn9  6  0.0000  0.0000  0.3000  1.0
  Sn  Sn10  3  -0.0000  -0.0000  0.5000  1.0
]