data_KCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.57
_cell_length_b   10.57
_cell_length_c   10.57
_cell_angle_alpha   15.17
_cell_angle_beta   15.17
_cell_angle_gamma   15.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoMo2
_chemical_formula_sum   'K1 Co1 Mo2'
_cell_volume   70.48
_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  0.0  1.0
  Co  Co0  1  0.0  0.0  0.67  1.0
  Mo  Mo2  1  0.0  0.0  0.25  1.0
  Mo  Mo3  1  0.0  0.0  0.09  1.0

data_KCoMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   98.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCoMo2
_chemical_formula_sum   'K2 Co2 Mo4'
_cell_volume   140.95
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  -0.0  0.0  0.33  1.0
  Mo  Mo2  2  -0.0  0.0  0.91  1.0
  Mo  Mo3  2  -0.0  0.0  0.75  1.0

K Co Mo Mo