data_K4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   10.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Mo3
_chemical_formula_sum   'K4 Mo3'
_cell_volume   243.34
_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  0.66  1.0
  K  K1  1  0.0  0.0  0.86  1.0
  K  K2  1  0.0  0.98  0.0  1.0
  K  K3  1  0.58  0.49  0.0  1.0
  Mo  Mo4  1  0.29  0.24  0.26  1.0
  Mo  Mo5  1  0.58  0.0  0.26  1.0
  Mo  Mo6  1  0.71  0.24  0.26  1.0

data_K4Mo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   10.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4Mo3
_chemical_formula_sum   'K4 Mo3'
_cell_volume   243.34
_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  0.66  1.0
  K  K1  1  0.0  0.0  0.86  1.0
  K  K2  1  0.0  0.98  0.0  1.0
  K  K3  1  0.58  0.49  0.0  1.0
  Mo  Mo4  1  0.29  0.24  0.26  1.0
  Mo  Mo5  1  0.58  0.0  0.26  1.0
  Mo  Mo6  1  0.71  0.24  0.26  1.0

K K K K Mo Mo Mo