data_KMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   155.43
_cell_angle_beta   131.04
_cell_angle_gamma   55.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2As
_chemical_formula_sum   'K1 Mo2 As1'
_cell_volume   79.17
_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
  Mo  Mo2  1  0.0  0.62  0.27  1.0
  Mo  Mo3  1  0.35  0.0  0.33  1.0
  As  As0  1  0.0  0.0  0.6  1.0

data_KMo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   5.25
_cell_length_c   6.33
_cell_angle_alpha   114.48
_cell_angle_beta   102.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2As
_chemical_formula_sum   'K1 Mo2 As1'
_cell_volume   79.17
_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  0.0  1.0
  Mo  Mo1  1  0.02  0.67  0.02  1.0
  Mo  Mo2  1  0.73  0.35  0.35  1.0
  As  As3  1  0.4  0.4  0.4  1.0

K Mo Mo As