data_[Ho6Er2Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.5599]
_cell_length_b [3.6561]
_cell_length_c [8.6473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho6Er2Ru]
_chemical_formula_sum '[Ho6 Er2 Ru1]'
_cell_volume [270.2333]
_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
[
  Ho  Ho0  2  0.0371  0.0000  0.6982  1.0
  Ho  Ho1  2  0.2316  0.5000  0.0521  1.0
  Ho  Ho2  2  0.4445  0.0000  0.7802  1.0
  Er  Er3  2  0.3003  0.5000  0.4667  1.0
  Ru  Ru4  1  0.0000  0.0000  0.0000  1.0
]