data_GaPb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   145.16
_cell_angle_beta   131.66
_cell_angle_gamma   60.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPb2Se
_chemical_formula_sum   'Ga1 Pb2 Se1'
_cell_volume   106.48
_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  0.76  1.0
  Pb  Pb1  1  0.0  0.59  0.4  1.0
  Pb  Pb2  1  0.0  0.0  0.99  1.0
  Se  Se3  1  0.0  0.59  0.18  1.0

data_GaPb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.17
_cell_length_c   6.32
_cell_angle_alpha   114.17
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPb2Se
_chemical_formula_sum   'Ga1 Pb2 Se1'
_cell_volume   106.48
_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  0.24  0.24  0.24  1.0
  Pb  Pb1  1  0.01  0.01  0.01  1.0
  Pb  Pb2  1  0.6  0.19  0.19  1.0
  Se  Se3  1  0.82  0.4  0.4  1.0

Ga Pb Pb Se