data_BePtRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePtRh2
_chemical_formula_sum   'Be1 Pt1 Rh2'
_cell_volume   51.57
_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
  Be  Be0  1  0.0  0.0  0.38  1.0
  Pt  Pt1  1  0.38  0.38  0.79  1.0
  Rh  Rh2  1  0.0  0.0  0.06  1.0
  Rh  Rh3  1  0.38  0.38  0.96  1.0

data_BePtRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BePtRh2
_chemical_formula_sum   'Be2 Pt2 Rh4'
_cell_volume   103.15
_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+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.38  1.0
  Rh  Rh1  2  0.0  0.0  0.06  1.0
  Pt  Pt2  2  0.38  0.0  0.79  1.0
  Rh  Rh3  2  0.38  0.0  0.96  1.0

Be Pt Rh Rh
Be Pt Rh Rh 0 0 + o o 0 0 o + o 0 2 o o o 1 3 o o o 2 3 o o - 