data_[Y1Er6Tm1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0844]
_cell_length_b [6.1055]
_cell_length_c [7.0350]
_cell_angle_alpha [73.2566]
_cell_angle_beta [89.9752]
_cell_angle_gamma [80.2276]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YEr6Tm]
_chemical_formula_sum '[Y1 Er6 Tm1]'
_cell_volume [246.3004]
_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
[
  Y  Y0  1  0.0000  0.0000  0.5000  1.0
  Er  Er1  2  0.2495  0.4987  0.8756  1.0
  Er  Er2  2  0.2511  0.4999  0.3748  1.0
  Er  Er3  2  0.4997  0.9995  0.7507  1.0
  Tm  Tm4  1  0.0000  0.0000  0.0000  1.0
]