data_[Si2Mo1Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8170]
_cell_length_b [4.5621]
_cell_length_c [4.3492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Si2MoRh]
_chemical_formula_sum '[Si2 Mo1 Rh1]'
_cell_volume [55.8942]
_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  0.0000  0.5000  0.7778  1
  Si  Si1  1  0.5000  0.0000  0.9811  1
  Mo  Mo2  1  0.0000  0.0000  0.4843  1
  Rh  Rh3  1  0.5000  0.5000  0.2567  1
]