data_[Tm4Al2Si2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6010]
_cell_length_b [3.7679]
_cell_length_c [7.9017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm2AlSiC]
_chemical_formula_sum '[Tm4 Al2 Si2 C2]'
_cell_volume [187.8889]
_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  0.1755  0.2500  0.3809  1.0
  Tm  Tm1  2  0.1987  0.2500  0.9633  1.0
  Al  Al2  2  0.4732  0.7500  0.2552  1.0
  Si  Si3  2  0.2852  0.7500  0.6932  1.0
  C  C4  2  0.1671  0.7500  0.1715  1.0
]