data_K2MoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   5.79
_cell_angle_alpha   92.68
_cell_angle_beta   92.68
_cell_angle_gamma   33.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MoBr
_chemical_formula_sum   'K2 Mo1 Br1'
_cell_volume   168.52
_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  0.29  0.0  0.14  1.0
  K  K2  1  0.52  0.0  0.02  1.0
  Mo  Mo3  1  0.9  0.0  0.29  1.0
  Br  Br0  1  0.65  0.0  1.0  1.0

data_K2MoBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   5.79
_cell_length_c   7.31
_cell_angle_alpha   92.68
_cell_angle_beta   106.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MoBr
_chemical_formula_sum   'K2 Mo1 Br1'
_cell_volume   168.52
_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  0.02  0.52  1.0
  K  K1  1  0.0  0.14  0.29  1.0
  Mo  Mo2  1  0.0  0.29  0.9  1.0
  Br  Br3  1  0.0  1.0  0.65  1.0

K K Mo Br