data_GaRePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.49
_cell_angle_alpha   99.32
_cell_angle_beta   99.32
_cell_angle_gamma   34.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRePb2
_chemical_formula_sum   'Ga1 Re1 Pb2'
_cell_volume   89.75
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.67  0.0  0.7  1.0
  Pb  Pb1  1  0.71  0.0  0.99  1.0
  Pb  Pb2  1  0.62  0.0  0.42  1.0

data_GaRePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.38
_cell_length_c   5.49
_cell_angle_alpha   99.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRePb2
_chemical_formula_sum   'Ga1 Re1 Pb2'
_cell_volume   89.75
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.33  0.3  1.0
  Pb  Pb2  1  0.0  0.29  0.01  1.0
  Pb  Pb3  1  0.0  0.38  0.58  1.0

Ga Re Pb Pb