data_[Nd2Y6Tm4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1549]
_cell_length_b [12.3904]
_cell_length_c [7.1542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdY3(TmAs3)2]
_chemical_formula_sum '[Nd2 Y6 Tm4 As12]'
_cell_volume [598.1230]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.0000  1.0
  Y  Y1  4  0.0000  0.1649  0.5000  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  4  0.0000  0.3328  0.0000  1.0
  As  As4  8  0.2463  0.3298  0.7495  1.0
  As  As5  4  0.2427  0.5000  0.2493  1.0
]