data_[Y2Tm6Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.0239]
_cell_length_b [3.5372]
_cell_length_c [9.1257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y2Tm6Ni]
_chemical_formula_sum '[Y2 Tm6 Ni1]'
_cell_volume [270.3794]
_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  2  0.3124  0.5000  0.6479  1
  Tm  Tm1  2  0.0036  0.0000  0.3079  1
  Tm  Tm2  2  0.2361  0.5000  0.0105  1
  Tm  Tm3  2  0.3560  0.0000  0.3390  1
  Ni  Ni4  1  0.0000  0.0000  0.0000  1
]