data_BaRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   137.13
_cell_angle_beta   137.13
_cell_angle_gamma   62.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRhSe2
_chemical_formula_sum   'Ba1 Rh1 Se2'
_cell_volume   98.84
_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
  Ba  Ba0  1  0.19  0.0  0.57  1.0
  Rh  Rh1  1  0.0  0.0  0.14  1.0
  Se  Se2  1  0.0  0.19  0.57  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_BaRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.0
_cell_angle_alpha   111.43
_cell_angle_beta   111.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRhSe2
_chemical_formula_sum   'Ba1 Rh1 Se2'
_cell_volume   98.84
_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
  Ba  Ba0  1  0.57  0.38  0.38  1.0
  Rh  Rh1  1  0.14  0.14  0.14  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.38  0.57  0.38  1.0

Ba Rh Se Se
Ba Rh Se Se 0 2 o o o 1 3 o o o 