data_[Nd6Tm8Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2823]
_cell_length_b [7.1615]
_cell_length_c [6.1970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Tm4Mg]
_chemical_formula_sum '[Nd6 Tm8 Mg2]'
_cell_volume [500.7049]
_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  4  0.2410  0.6221  0.1467  1
  Nd  Nd1  2  0.0000  0.6306  0.4963  1
  Tm  Tm2  4  0.2449  0.1216  0.1444  1
  Tm  Tm3  2  0.0000  0.1236  0.4828  1
  Tm  Tm4  2  0.0000  0.8862  0.9704  1
  Mg  Mg5  2  0.0000  0.3641  0.9836  1
]