data_Ta2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.05
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RhSe
_chemical_formula_sum   'Ta2 Rh1 Se1'
_cell_volume   66.76
_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
  Ta  Ta2  1  0.04  0.03  0.4  1.0
  Ta  Ta3  1  0.66  0.03  0.15  1.0
  Rh  Rh0  1  0.36  0.0  0.78  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Ta2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.05
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RhSe
_chemical_formula_sum   'Ta2 Rh1 Se1'
_cell_volume   66.76
_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
  Ta  Ta0  1  0.04  0.03  0.4  1.0
  Ta  Ta1  1  0.66  0.03  0.15  1.0
  Rh  Rh2  1  0.36  0.0  0.78  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ta Ta Rh Se
Ta Ta Rh Se 0 1 - o o 0 2 o o o 1 3 + o o 1 2 o o - 2 3 o o + 2 3 + o + 