data_[Y6Mn6Co45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3485]
_cell_length_b [8.3485]
_cell_length_c [12.1879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y2Mn2Co15]
_chemical_formula_sum '[Y6 Mn6 Co45]'
_cell_volume [735.6612]
_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
[
  Y  Y0  6  0.0000  0.0000  0.3482  1
  Mn  Mn1  6  0.0000  0.0000  0.1044  1
  Co  Co2  18  0.0000  0.2873  0.0000  1
  Co  Co3  18  0.0017  0.5008  0.1517  1
  Co  Co4  9  0.0000  0.5000  0.5000  1
]