data_[Er2Ni24B10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.8404]
_cell_length_b [6.8532]
_cell_length_c [7.7564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [ErNi12B5]
_chemical_formula_sum '[Er2 Ni24 B10]'
_cell_volume [363.6109]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Ni  Ni1  8  0.0000  0.3200  0.3151  1
  Ni  Ni2  8  0.1778  0.2780  0.0000  1
  Ni  Ni3  8  0.1845  0.0000  0.2103  1
  B  B4  4  0.0000  0.5000  0.1120  1
  B  B5  4  0.1375  0.5000  0.5000  1
  B  B6  2  0.0000  0.0000  0.0000  1
]