data_[Tm12Co4B28]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3640]
_cell_length_b [15.5010]
_cell_length_c [9.2250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3CoB7]
_chemical_formula_sum '[Tm12 Co4 B28]'
_cell_volume [481.0479]
_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  8  0.0000  0.1057  0.0603  1
  Tm  Tm1  4  0.0000  0.2444  0.7500  1
  Co  Co2  4  0.0000  0.0533  0.7500  1
  B  B3  8  0.0000  0.2722  0.0331  1
  B  B4  8  0.0000  0.3694  0.1525  1
  B  B5  8  0.0000  0.4792  0.0970  1
  B  B6  4  0.0000  0.4577  0.7500  1
]