data_[Er7Tm4Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3573]
_cell_length_b [6.6496]
_cell_length_c [8.9343]
_cell_angle_alpha [85.6106]
_cell_angle_beta [76.2251]
_cell_angle_gamma [81.5056]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er7Tm4Sc]
_chemical_formula_sum '[Er7 Tm4 Sc1]'
_cell_volume [362.4612]
_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  0.1889  0.1089  0.3856  1
  Er  Er1  2  0.3208  0.6968  0.6375  1
  Er  Er2  2  0.4949  0.2453  0.0496  1
  Er  Er3  1  0.0000  0.5000  0.0000  1
  Tm  Tm4  2  0.1658  0.6185  0.3082  1
  Tm  Tm5  2  0.3495  0.1864  0.7193  1
  Sc  Sc6  1  0.0000  0.0000  0.0000  1
]