data_[Tc1Rh2Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8677]
_cell_length_b [3.5845]
_cell_length_c [5.8617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TcRh2Se]
_chemical_formula_sum '[Tc1 Rh2 Se1]'
_cell_volume [60.2537]
_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
[
  Tc  Tc0  1  0.5000  0.5000  0.7732  1
  Rh  Rh1  1  0.0000  0.0000  0.9898  1
  Rh  Rh2  1  0.5000  0.5000  0.2574  1
  Se  Se3  1  0.0000  0.0000  0.4797  1
]