data_[La1Tm7Sc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.9035]
_cell_length_b [6.9035]
_cell_length_c [8.2306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaTm7Sc3]
_chemical_formula_sum '[La1 Tm7 Sc3]'
_cell_volume [339.7063]
_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
[
  La  La0  1  0.0000  0.0000  0.4486  1
  Tm  Tm1  3  0.0028  0.5014  0.4576  1
  Tm  Tm2  3  0.3314  0.1657  0.1073  1
  Tm  Tm3  1  0.3333  0.6667  0.1139  1
  Sc  Sc4  3  0.1690  0.3380  0.7860  1
]