data_RbAuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   8.09
_cell_length_c   26.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAuSe
_chemical_formula_sum   'Rb2 Au2 Se2'
_cell_volume   1457.74
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.75  0.14  0.13  1.0
  Rb  Rb1  1  0.25  0.86  0.13  1.0
  Au  Au2  1  0.0  0.5  0.13  1.0
  Au  Au3  1  0.5  0.5  0.13  1.0
  Se  Se4  1  0.75  0.72  0.13  1.0
  Se  Se5  1  0.25  0.28  0.13  1.0

Rb Rb Au Au Se Se 0 5 o o o 0 5 + o o 0 3 o o o 0 4 o - o 0 2 + o o 1 2 o o o 1 4 - o o 1 4 o o o 1 3 o o o 1 5 o + o 2 4 - o o 2 5 o o o 3 5 o o o 3 4 o o o 
data_RbAuSe
_symmetry_space_group_name_H-M   Pmma
_cell_length_a   6.69
_cell_length_b   26.95
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   51
_chemical_formula_structural   RbAuSe
_chemical_formula_sum   'Rb2 Au2 Se2'
_cell_volume   1457.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x+1/2, -y, z'
  4  'x+1/2, y, -z'
  5  'x+1/2, -y, -z'
  6  '-x+1/2, y, z'
  7  '-x, y, -z'
  8  '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
  Rb  Rb0  2  0.25  0.5  0.86  1.0
  Au  Au1  2  0.0  0.5  0.5  1.0
  Se  Se2  2  0.25  0.5  0.28  1.0
