data_[Tm12Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6026]
_cell_length_b [12.4310]
_cell_length_c [9.3360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm3Cr]
_chemical_formula_sum '[Tm12 Cr4]'
_cell_volume [418.1063]
_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  0.1367  0.5565  1
  Tm  Tm1  4  0.0000  0.4434  0.7500  1
  Cr  Cr2  4  0.0000  0.2431  0.2500  1
]