data_[La12Te2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.1789]
_cell_length_b [4.2495]
_cell_length_c [12.4506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6TeRh3]
_chemical_formula_sum '[La12 Te2 Rh6]'
_cell_volume [614.5142]
_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
[
  La  La0  2  0.0754  0.7500  0.9054  1
  La  La1  2  0.1533  0.2500  0.4609  1
  La  La2  2  0.2172  0.7500  0.2249  1
  La  La3  2  0.2943  0.7500  0.7400  1
  La  La4  2  0.3897  0.2500  0.0484  1
  La  La5  2  0.4774  0.2500  0.6093  1
  Te  Te6  2  0.0526  0.2500  0.6830  1
  Rh  Rh7  2  0.1531  0.2500  0.0733  1
  Rh  Rh8  2  0.3221  0.7500  0.5077  1
  Rh  Rh9  2  0.4596  0.2500  0.8357  1
]