data_[Er6Co58Si8B20]
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
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [11.1028]
_cell_length_b [11.1028]
_cell_length_c [7.7990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Er3Co29(Si2B5)2]
_chemical_formula_sum '[Er6 Co58 Si8 B20]'
_cell_volume [961.4090]
_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  0.2500  0.2500  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Co  Co2  16  0.1615  0.1744  0.6643  1
  Co  Co3  8  0.0000  0.1103  0.8882  1
  Co  Co4  8  0.0000  0.2716  0.4721  1
  Co  Co5  8  0.0000  0.3349  0.9689  1
  Co  Co6  8  0.1099  0.3901  0.6969  1
  Co  Co7  8  0.1162  0.3838  0.2465  1
  Co  Co8  2  0.0000  0.5000  0.4633  1
  Si  Si9  8  0.0000  0.1822  0.1745  1
  B  B10  8  0.0000  0.2439  0.7351  1
  B  B11  8  0.1860  0.3140  0.4809  1
  B  B12  2  0.0000  0.5000  0.1055  1
  B  B13  2  0.0000  0.5000  0.8503  1
]