data_GaCuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   137.85
_cell_angle_beta   137.85
_cell_angle_gamma   61.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuBi2
_chemical_formula_sum   'Ga1 Cu1 Bi2'
_cell_volume   95.81
_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  Ga3  1  0.15  0.0  0.58  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.16  1.0
  Bi  Bi1  1  0.0  0.15  0.58  1.0

data_GaCuBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.99
_cell_angle_alpha   111.07
_cell_angle_beta   111.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuBi2
_chemical_formula_sum   'Ga1 Cu1 Bi2'
_cell_volume   95.81
_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  0.58  0.43  0.43  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.16  0.16  0.16  1.0
  Bi  Bi3  1  0.43  0.58  0.43  1.0

Ga Cu Bi Bi