data_[Er10Tm2Th8]
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 [6.6655]
_cell_length_b [11.6594]
_cell_length_c [8.5303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Er5TmTh4]
_chemical_formula_sum '[Er10 Tm2 Th8]'
_cell_volume [662.9400]
_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  8  0.2401  0.2163  0.8158  1
  Er  Er1  2  0.0000  0.5000  0.2048  1
  Tm  Tm2  2  0.0000  0.0000  0.5455  1
  Th  Th3  4  0.0000  0.3540  0.5307  1
  Th  Th4  4  0.2484  0.5000  0.8562  1
]