data_Sr2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   3.73
_cell_angle_alpha   90.76
_cell_angle_beta   90.76
_cell_angle_gamma   85.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2RhSe
_chemical_formula_sum   'Sr2 Rh1 Se1'
_cell_volume   102.82
_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
  Sr  Sr2  1  0.9  0.78  0.87  1.0
  Sr  Sr3  1  0.9  0.22  0.87  1.0
  Rh  Rh0  1  0.87  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Sr2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   85.15
_cell_angle_beta   89.24
_cell_angle_gamma   89.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2RhSe
_chemical_formula_sum   'Sr2 Rh1 Se1'
_cell_volume   102.82
_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
  Sr  Sr0  1  0.87  0.1  0.22  1.0
  Sr  Sr1  1  0.87  0.1  0.78  1.0
  Rh  Rh2  1  0.0  0.13  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sr Sr Rh Se
Sr Sr Rh Se 0 2 o + + 0 3 + + + 1 2 o o + 1 3 + o + 2 3 + o o 