data_[Tm16Co4As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4066]
_cell_length_b [6.7273]
_cell_length_c [6.6905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4CoAs]
_chemical_formula_sum '[Tm16 Co4 As4]'
_cell_volume [605.3052]
_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  0.1145  0.4498  0.5286  1
  Tm  Tm1  8  0.1437  0.0442  0.1487  1
  Co  Co2  4  0.2500  0.2500  0.5000  1
  As  As3  4  0.0000  0.2208  0.7500  1
]