data_LaZnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnMo2
_chemical_formula_sum   'La1 Zn1 Mo2'
_cell_volume   77.46
_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
  La  La0  1  0.64  0.0  0.33  1.0
  Zn  Zn3  1  0.0  0.0  0.13  1.0
  Mo  Mo1  1  0.0  0.0  0.23  1.0
  Mo  Mo2  1  0.64  0.0  0.28  1.0

data_LaZnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZnMo2
_chemical_formula_sum   'La1 Zn1 Mo2'
_cell_volume   77.46
_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
  La  La0  1  0.64  0.0  0.33  1.0
  Zn  Zn1  1  0.0  0.0  0.13  1.0
  Mo  Mo2  1  0.0  0.0  0.23  1.0
  Mo  Mo3  1  0.64  0.0  0.28  1.0

La Zn Mo Mo
La Zn Mo Mo 0 3 o o o 1 2 o o o 2 3 - o o 