data_[Tm6Zr4Sc2]
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 [P2_1/m]
_cell_length_a [9.0864]
_cell_length_b [3.2692]
_cell_length_c [10.8152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3Zr2Sc]
_chemical_formula_sum '[Tm6 Zr4 Sc2]'
_cell_volume [320.2110]
_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  2  0.0867  0.2500  0.1293  1
  Tm  Tm1  2  0.2402  0.2500  0.8618  1
  Tm  Tm2  2  0.4025  0.2500  0.6123  1
  Zr  Zr3  2  0.0704  0.7500  0.6142  1
  Zr  Zr4  2  0.4483  0.2500  0.1209  1
  Sc  Sc5  2  0.2340  0.7500  0.3661  1
]