data_[Ho1Tm3C2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7099]
_cell_length_b [3.7099]
_cell_length_c [13.0900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HoTm3(CSe)2]
_chemical_formula_sum '[Ho1 Tm3 C2 Se2]'
_cell_volume [156.0219]
_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
[
  Ho  Ho0  1  0.0000  0.0000  0.9005  1
  Tm  Tm1  1  0.0000  0.0000  0.5988  1
  Tm  Tm2  1  0.6667  0.3333  0.1006  1
  Tm  Tm3  1  0.6667  0.3333  0.4008  1
  Se  Se4  1  0.0000  0.0000  0.2504  1
  C  C5  1  0.3333  0.6667  0.0015  1
  C  C6  1  0.3333  0.6667  0.4997  1
  Se  Se7  1  0.6667  0.3333  0.7478  1
]