data_[Er6Mn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6222]
_cell_length_b [8.6222]
_cell_length_c [11.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2Mn17]
_chemical_formula_sum '[Er6 Mn51]'
_cell_volume [747.8569]
_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
[
  Er  Er0  6  0.0000  0.0000  0.3549  1.0
  Mn  Mn1  18  0.0000  0.2761  0.0000  1.0
  Mn  Mn2  18  0.0133  0.5067  0.8627  1.0
  Mn  Mn3  9  0.0000  0.5000  0.5000  1.0
  Mn  Mn4  6  0.0000  0.0000  0.0995  1.0
]