data_[Tm4Zr2Sc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.6049]
_cell_length_b [13.2420]
_cell_length_c [4.6884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Tm2ZrSc5]
_chemical_formula_sum '[Tm4 Zr2 Sc10]'
_cell_volume [410.0534]
_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
[
  Tm  Tm0  4  0.2460  0.6222  0.5000  1.0
  Zr  Zr1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  4  0.0006  0.7456  0.0000  1.0
  Sc  Sc3  4  0.2434  0.3789  0.5000  1.0
  Sc  Sc4  2  0.0000  0.0000  0.0000  1.0
]