data_[Er2Tm7Sc2]
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 [6.5399]
_cell_length_b [6.5939]
_cell_length_c [8.7861]
_cell_angle_alpha [86.4749]
_cell_angle_beta [74.0582]
_cell_angle_gamma [64.2925]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er2Tm7Sc2]
_chemical_formula_sum '[Er2 Tm7 Sc2]'
_cell_volume [327.5254]
_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  0.0044  0.2454  0.5461  1
  Tm  Tm1  2  0.1438  0.5180  0.8008  1
  Tm  Tm2  2  0.3793  0.4307  0.1409  1
  Tm  Tm3  2  0.3893  0.9464  0.2038  1
  Tm  Tm4  1  0.0000  0.0000  0.0000  1
  Sc  Sc5  2  0.4595  0.7570  0.5538  1
]