data_KCo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Br
_chemical_formula_sum   'K1 Co2 Br1'
_cell_volume   91.08
_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
  K  K3  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.4  0.12  0.41  1.0
  Co  Co2  1  0.4  0.88  0.41  1.0
  Br  Br0  1  0.79  0.0  0.0  1.0

data_KCo2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.58
_cell_length_c   6.41
_cell_angle_alpha   115.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Br
_chemical_formula_sum   'K1 Co2 Br1'
_cell_volume   91.08
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.41  0.12  0.51  1.0
  Co  Co2  1  0.41  0.88  0.28  1.0
  Br  Br3  1  -0.0  0.0  0.79  1.0

K Co Co Br