data_KTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   5.45
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTeMo2
_chemical_formula_sum   'K1 Te1 Mo2'
_cell_volume   100.34
_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  0.0  1.0
  Te  Te3  1  0.46  0.0  0.12  1.0
  Mo  Mo1  1  0.81  0.73  0.06  1.0
  Mo  Mo2  1  0.11  0.73  0.18  1.0

data_KTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.45
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTeMo2
_chemical_formula_sum   'K1 Te1 Mo2'
_cell_volume   100.34
_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  0.0  1.0
  Te  Te1  1  0.46  0.0  0.12  1.0
  Mo  Mo2  1  0.11  0.73  0.18  1.0
  Mo  Mo3  1  0.81  0.73  0.06  1.0

K Te Mo Mo