data_MoRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.53
_cell_angle_alpha   93.29
_cell_angle_beta   93.29
_cell_angle_gamma   35.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRh2Se
_chemical_formula_sum   'Mo1 Rh2 Se1'
_cell_volume   61.36
_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
  Mo  Mo0  1  0.48  0.0  0.26  1.0
  Rh  Rh1  1  0.95  0.0  0.34  1.0
  Rh  Rh2  1  0.0  0.0  0.18  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_MoRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.53
_cell_length_c   4.84
_cell_angle_alpha   93.29
_cell_angle_beta   107.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRh2Se
_chemical_formula_sum   'Mo1 Rh2 Se1'
_cell_volume   61.36
_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
  Mo  Mo0  1  0.0  0.26  0.48  1.0
  Rh  Rh1  1  0.0  0.18  0.0  1.0
  Rh  Rh2  1  0.0  0.34  0.95  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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