data_[Ti2Rh4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6184]
_cell_length_b [3.5686]
_cell_length_c [9.6863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiRh2Se3]
_chemical_formula_sum '[Ti2 Rh4 Se6]'
_cell_volume [259.4924]
_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
[
  Ti  Ti0  2  0.3002  0.2500  0.2956  1
  Rh  Rh1  2  0.1185  0.7500  0.0818  1
  Rh  Rh2  2  0.4155  0.2500  0.5675  1
  Se  Se3  2  0.0268  0.7500  0.8134  1
  Se  Se4  2  0.2070  0.7500  0.4944  1
  Se  Se5  2  0.4498  0.7500  0.1685  1
]