data_CoGeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   149.33
_cell_angle_beta   149.33
_cell_angle_gamma   43.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGeBr
_chemical_formula_sum   'Co1 Ge1 Br1'
_cell_volume   58.77
_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
  Co  Co1  1  0.0  0.0  0.47  1.0
  Ge  Ge2  1  0.0  0.0  0.24  1.0
  Br  Br0  1  0.0  0.0  0.9  1.0

data_CoGeBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   111.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoGeBr
_chemical_formula_sum   'Co2 Ge2 Br2'
_cell_volume   117.53
_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
  Co  Co0  2  0.47  0.0  0.47  1.0
  Ge  Ge1  2  0.24  0.0  0.24  1.0
  Br  Br2  2  0.4  0.5  0.9  1.0

Co Ge Br