data_Ga2CoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.93
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   95.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoBr
_chemical_formula_sum   'Ga2 Co1 Br1'
_cell_volume   85.28
_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  Ga2  1  0.95  0.97  0.4  1.0
  Ga  Ga3  1  0.9  0.0  0.26  1.0
  Co  Co1  1  0.44  0.0  0.66  1.0
  Br  Br0  1  0.62  0.97  0.15  1.0

data_Ga2CoBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.93
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   95.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CoBr
_chemical_formula_sum   'Ga2 Co1 Br1'
_cell_volume   85.28
_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  0.9  0.0  0.26  1.0
  Ga  Ga1  1  0.95  0.97  0.4  1.0
  Co  Co2  1  0.44  0.0  0.66  1.0
  Br  Br3  1  0.62  0.97  0.15  1.0

Ga Ga Co Br
Ga Ga Co Br 0 1 o + o 0 2 + + o 0 2 o + o 1 2 + o o 1 3 o - o 2 3 o - + 