data_[Yb1Fe6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.8601]
_cell_length_b [6.8601]
_cell_length_c [3.7161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Yb(Fe3As2)2]
_chemical_formula_sum '[Yb1 Fe6 As4]'
_cell_volume [151.4533]
_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
[
  Yb  Yb0  1  0.6667  0.3333  0.0000  1.0
  Fe  Fe1  3  0.2085  0.4170  0.0000  1.0
  Fe  Fe2  3  0.2522  0.1261  0.5000  1.0
  As  As3  3  0.0343  0.5171  0.5000  1.0
  As  As4  1  0.0000  0.0000  0.0000  1.0
]