data_[Fe2Rh1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8288]
_cell_length_b [6.0191]
_cell_length_c [6.0441]
_cell_angle_alpha [64.7747]
_cell_angle_beta [75.4938]
_cell_angle_gamma [88.5371]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe2RhSe4]
_chemical_formula_sum '[Fe2 Rh1 Se4]'
_cell_volume [121.4661]
_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
[
  Fe  Fe0  2  0.3636  0.3113  0.4571  1.0
  Rh  Rh1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.0813  0.4667  0.7523  1.0
  Se  Se3  2  0.3902  0.0291  0.2693  1.0
]