data_KZrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.86
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   99.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrMo2
_chemical_formula_sum   'K1 Zr1 Mo2'
_cell_volume   104.74
_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
  Zr  Zr3  1  0.37  0.0  0.8  1.0
  Mo  Mo1  1  0.1  0.43  0.68  1.0
  Mo  Mo2  1  0.47  0.43  0.92  1.0

data_KZrMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.86
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   99.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrMo2
_chemical_formula_sum   'K1 Zr1 Mo2'
_cell_volume   104.74
_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
  Zr  Zr1  1  0.37  0.0  0.8  1.0
  Mo  Mo2  1  0.1  0.43  0.68  1.0
  Mo  Mo3  1  0.47  0.43  0.92  1.0

K Zr Mo Mo