data_[Ti1Be1Fe1Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9084]
_cell_length_b [2.9084]
_cell_length_c [5.6280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TiBeFeRh]
_chemical_formula_sum '[Ti1 Be1 Fe1 Rh1]'
_cell_volume [47.6061]
_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
[
  Ti  Ti0  1  0.5000  0.5000  0.1286  1.0
  Be  Be1  1  0.5000  0.5000  0.5940  1.0
  Fe  Fe2  1  0.0000  0.0000  0.3749  1.0
  Rh  Rh3  1  0.0000  0.0000  0.8304  1.0
]