data_[Er4Mn4B56]
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 [Imma]
_cell_length_a [5.8543]
_cell_length_b [10.6654]
_cell_length_c [8.2177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ErMnB14]
_chemical_formula_sum '[Er4 Mn4 B56]'
_cell_volume [513.0973]
_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  4  0.0000  0.2500  0.6282  1
  Mn  Mn1  4  0.2500  0.2500  0.2500  1
  B  B2  16  0.1597  0.0624  0.8383  1
  B  B3  16  0.2480  0.0783  0.0469  1
  B  B4  8  0.0000  0.0846  0.1708  1
  B  B5  8  0.0000  0.1306  0.3713  1
  B  B6  8  0.0000  0.1670  0.9683  1
]