data_[Er12Co4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0010]
_cell_length_b [6.1204]
_cell_length_c [9.7181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er3CoRu]
_chemical_formula_sum '[Er12 Co4 Ru4]'
_cell_volume [432.7537]
_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  0.1410  0.5006  0.2965  1.0
  Er  Er1  4  0.2768  0.0036  0.5064  1.0
  Er  Er2  4  0.3297  0.5135  0.6813  1.0
  Co  Co3  4  0.4827  0.6789  0.4684  1.0
  Ru  Ru4  4  0.0009  0.2332  0.0049  1.0
]