data_[Ho8Er2Sc6]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.8983]
_cell_length_b [6.5329]
_cell_length_c [6.4371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ho4ErSc3]
_chemical_formula_sum '[Ho8 Er2 Sc6]'
_cell_volume [458.3060]
_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
[
  Ho  Ho0  4  0.2253  0.9447  0.5331  1.0
  Ho  Ho1  2  0.0000  0.3302  0.3743  1.0
  Ho  Ho2  2  0.0000  0.8328  0.2225  1.0
  Er  Er3  2  0.0000  0.2097  0.8617  1.0
  Sc  Sc4  4  0.2358  0.5601  0.1191  1.0
  Sc  Sc5  2  0.0000  0.6811  0.7522  1.0
]