# generated using pymatgen
data_TmMg2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19162098
_cell_length_b   5.19162098
_cell_length_c   5.19162098
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmMg2Sc
_chemical_formula_sum   'Tm1 Mg2 Sc1'
_cell_volume   98.94501951
_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
  Tm  Tm0  1  0.75000000  0.75000000  0.75000000  1.0
  Mg  Mg1  1  0.00000000  -0.00000000  -0.00000000  1.0
  Mg  Mg2  1  0.49999900  0.49999900  0.49999900  1.0
  Sc  Sc3  1  0.24999900  0.24999900  0.24999900  1.0