data_[Er4Tm7Th1]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6566]
_cell_length_b [6.8776]
_cell_length_c [8.5646]
_cell_angle_alpha [79.4640]
_cell_angle_beta [76.9849]
_cell_angle_gamma [76.6267]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er4Tm7Th]
_chemical_formula_sum '[Er4 Tm7 Th1]'
_cell_volume [368.1172]
_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  0.1855  0.6079  0.3340  1
  Er  Er1  2  0.3441  0.2304  0.6832  1
  Tm  Tm2  2  0.1798  0.1061  0.3664  1
  Tm  Tm3  2  0.3214  0.7345  0.6725  1
  Tm  Tm4  2  0.4794  0.2503  0.0250  1
  Tm  Tm5  1  0.0000  0.5000  0.0000  1
  Th  Th6  1  0.0000  0.0000  0.0000  1
]