data_[Si1Te2Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3916]
_cell_length_b [3.3916]
_cell_length_c [7.6920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SiTe2Rh]
_chemical_formula_sum '[Si1 Te2 Rh1]'
_cell_volume [88.4808]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.5000  0.5000  0.6881  1
  Te  Te1  1  0.0000  0.0000  0.9149  1
  Te  Te2  1  0.5000  0.5000  0.3280  1
  Rh  Rh3  1  0.0000  0.0000  0.5690  1
]