data_[Er4Re6B10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.4174]
_cell_length_b [4.0845]
_cell_length_c [8.2514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Er2Re3B5]
_chemical_formula_sum '[Er4 Re6 B10]'
_cell_volume [283.0150]
_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  4  0.1624  0.7754  0.2560  1
  Re  Re1  4  0.1293  0.2543  0.8989  1
  Re  Re2  2  0.0000  0.9978  0.5000  1
  B  B3  4  0.0221  0.5007  0.6137  1
  B  B4  4  0.1382  0.7659  0.8069  1
  B  B5  2  0.0000  0.2751  0.0000  1
]