data_KMo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   150.86
_cell_angle_beta   119.44
_cell_angle_gamma   68.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Br
_chemical_formula_sum   'K1 Mo2 Br1'
_cell_volume   115.64
_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  K1  1  0.0  0.0  0.92  1.0
  Mo  Mo2  1  0.0  0.28  0.49  1.0
  Mo  Mo3  1  0.0  0.0  0.2  1.0
  Br  Br0  1  0.0  0.28  0.52  1.0

data_KMo2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   60.56
_cell_angle_beta   75.43
_cell_angle_gamma   75.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Br
_chemical_formula_sum   'K1 Mo2 Br1'
_cell_volume   115.64
_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  0.92  1.0
  Mo  Mo1  1  0.0  -0.0  0.2  1.0
  Mo  Mo2  1  0.28  -0.0  0.21  1.0
  Br  Br3  1  0.28  0.0  0.24  1.0

K Mo Mo Br