data_[Sm12Er4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1462]
_cell_length_b [5.8782]
_cell_length_c [9.3068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3ErTe]
_chemical_formula_sum '[Sm12 Er4 Te4]'
_cell_volume [660.5061]
_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
[
  Sm  Sm0  4  0.0575  0.0000  0.8449  1
  Sm  Sm1  4  0.1303  0.5000  0.1308  1
  Sm  Sm2  4  0.1406  0.0000  0.4566  1
  Er  Er3  4  0.0748  0.5000  0.6556  1
  Te  Te4  4  0.2148  0.0000  0.1358  1
]