data_[Yb2Mn6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.4064]
_cell_length_b [19.8171]
_cell_length_c [6.0837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Yb(MnAs)3]
_chemical_formula_sum '[Yb2 Mn6 As6]'
_cell_volume [1013.4861]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Mn  Mn1  4  0.2500  0.4277  0.9036  1
  Mn  Mn2  2  0.0000  0.5000  0.0000  1
  As  As3  4  0.0000  0.3785  0.0000  1
  As  As4  2  0.2500  0.5000  0.2109  1
]