data_KMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   5.42
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   26.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2P
_chemical_formula_sum   'K1 Mo2 P1'
_cell_volume   81.01
_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  0.94  0.0  0.55  1.0
  Mo  Mo1  1  0.81  0.0  0.83  1.0
  Mo  Mo2  1  0.06  0.0  0.26  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_KMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   5.42
_cell_length_c   6.02
_cell_angle_alpha   109.47
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2P
_chemical_formula_sum   'K1 Mo2 P1'
_cell_volume   81.01
_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  0.55  0.94  1.0
  Mo  Mo1  1  0.0  0.26  0.06  1.0
  Mo  Mo2  1  0.0  0.83  0.81  1.0
  P  P3  1  0.0  0.0  0.0  1.0

K Mo Mo P