data_GaCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   7.42
_cell_length_c   7.42
_cell_angle_alpha   30.81
_cell_angle_beta   30.81
_cell_angle_gamma   30.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoBi2
_chemical_formula_sum   'Ga1 Co1 Bi2'
_cell_volume   94.85
_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  0.0  0.0  0.59  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.5  1.0
  Bi  Bi1  1  0.0  0.0  0.67  1.0

data_GaCoBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.82
_cell_length_b   3.94
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   107.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaCoBi2
_chemical_formula_sum   'Ga2 Co2 Bi4'
_cell_volume   189.7
_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
  Ga  Ga0  2  0.0  0.0  0.41  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.33  1.0
  Bi  Bi3  2  0.0  0.0  0.5  1.0

Ga Co Bi Bi
Ga Co Bi Bi 0 2 o o o 0 3 o o o 1 3 o o - 