data_[Tm8Co12Sn20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2997]
_cell_length_b [25.8887]
_cell_length_c [7.0340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm2Co3Sn5]
_chemical_formula_sum '[Tm8 Co12 Sn20]'
_cell_volume [782.9701]
_cell_formula_units_Z [4]
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  0.0000  0.1703  0.2334  1
  Tm  Tm1  4  0.0000  0.4743  0.2521  1
  Co  Co2  4  0.0000  0.0492  0.4739  1
  Co  Co3  4  0.0000  0.2224  0.7265  1
  Co  Co4  4  0.0000  0.3939  0.5083  1
  Sn  Sn5  4  0.0000  0.0471  0.0872  1
  Sn  Sn6  4  0.0000  0.1208  0.7488  1
  Sn  Sn7  4  0.0000  0.2884  0.0145  1
  Sn  Sn8  4  0.0000  0.2956  0.4424  1
  Sn  Sn9  4  0.0000  0.4062  0.8778  1
]