data_[Nd4Sm4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8454]
_cell_length_b [4.0610]
_cell_length_c [8.8361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSmTe]
_chemical_formula_sum '[Nd4 Sm4 Te4]'
_cell_volume [377.3047]
_cell_formula_units_Z [4]
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  0.1497  0.5000  0.0465  1.0
  Sm  Sm1  4  0.0621  0.0000  0.3423  1.0
  Te  Te2  4  0.1643  0.5000  0.6685  1.0
]