data_[Er8Tm2Th6]
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 [Pmmn]
_cell_length_a [4.9987]
_cell_length_b [10.0223]
_cell_length_c [10.0050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Er4TmTh3]
_chemical_formula_sum '[Er8 Tm2 Th6]'
_cell_volume [501.2394]
_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  0.0000  0.2504  0.8742  1
  Er  Er1  2  0.0000  0.0000  0.1279  1
  Er  Er2  2  0.0000  0.5000  0.1252  1
  Tm  Tm3  2  0.0000  0.0000  0.6246  1
  Th  Th4  4  0.0000  0.2479  0.3760  1
  Th  Th5  2  0.0000  0.5000  0.6251  1
]