data_[Tb4Nd2Er6As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0124]
_cell_length_b [4.1354]
_cell_length_c [8.2648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Nd(ErAs2)3]
_chemical_formula_sum '[Tb4 Nd2 Er6 As12]'
_cell_volume [599.3156]
_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
[
  Tb  Tb0  4  0.1674  0.0000  0.3341  1.0
  Nd  Nd1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.1663  0.0000  0.8323  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  As  As4  4  0.0004  0.0000  0.7420  1.0
  As  As5  4  0.1658  0.5000  0.5850  1.0
  As  As6  4  0.1696  0.5000  0.0823  1.0
]