data_[Er8Mn20B16]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.1063]
_cell_length_b [9.5187]
_cell_length_c [11.0863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Er2Mn5B4]
_chemical_formula_sum '[Er8 Mn20 B16]'
_cell_volume [538.8483]
_cell_formula_units_Z [4]
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  8  0.0000  0.0000  0.1469  1.0
  Mn  Mn1  8  0.2500  0.2500  0.0000  1.0
  Mn  Mn2  8  0.2500  0.2500  0.2500  1.0
  Mn  Mn3  4  0.0000  0.0000  0.5000  1.0
  B  B4  16  0.0000  0.1503  0.3644  1.0
]