data_[Er3Bi1B2Rh9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8395]
_cell_length_b [5.8395]
_cell_length_c [9.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Er3BiB2Rh9]
_chemical_formula_sum '[Er3 Bi1 B2 Rh9]'
_cell_volume [268.5690]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.7263  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Bi  Bi2  1  0.0000  0.0000  0.5000  1
  B  B3  2  0.3333  0.6667  0.1436  1
  Rh  Rh4  6  0.1607  0.3214  0.2592  1
  Rh  Rh5  3  0.0000  0.5000  0.0000  1
]