data_[Y12Tm4Tc4]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0323]
_cell_length_b [3.9041]
_cell_length_c [12.8295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y3TmTc]
_chemical_formula_sum '[Y12 Tm4 Tc4]'
_cell_volume [555.8891]
_cell_formula_units_Z [4]
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  0.0163  0.0000  0.9055  1
  Y  Y1  2  0.0459  0.5000  0.1478  1
  Y  Y2  2  0.0707  0.5000  0.5204  1
  Y  Y3  2  0.2175  0.0000  0.3845  1
  Y  Y4  2  0.2413  0.0000  0.7621  1
  Y  Y5  2  0.3981  0.5000  0.6232  1
  Tm  Tm6  2  0.2694  0.5000  0.0047  1
  Tm  Tm7  2  0.3888  0.5000  0.2831  1
  Tc  Tc8  2  0.0738  0.5000  0.7605  1
  Tc  Tc9  2  0.2174  0.0000  0.1498  1
]