data_Rb3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Pt
_chemical_formula_sum   'Rb3 Pt1'
_cell_volume   240.6
_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
  Rb  Rb1  1  0.45  0.42  0.5  1.0
  Rb  Rb2  1  0.45  0.42  0.04  1.0
  Rb  Rb3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.77  1.0

data_Rb3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Pt
_chemical_formula_sum   'Rb3 Pt1'
_cell_volume   240.6
_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
  Rb  Rb0  1  0.0  0.0  0.0  1.0
  Rb  Rb1  1  0.45  0.42  0.04  1.0
  Rb  Rb2  1  0.45  0.42  0.5  1.0
  Pt  Pt3  1  0.0  0.0  0.77  1.0

Rb Rb Rb Pt
Rb Rb Rb Pt 0 3 o o o 0 3 + o o 0 3 + + o 0 0 + + o 0 0 o + o 0 0 + o o 1 2 o o o 2 3 o o - 