data_Zn2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.47
_cell_angle_alpha   95.93
_cell_angle_beta   95.93
_cell_angle_gamma   30.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiMo
_chemical_formula_sum   'Zn2 Si1 Mo1'
_cell_volume   58.97
_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
  Zn  Zn2  1  0.4  0.0  0.14  1.0
  Zn  Zn3  1  0.02  0.0  0.3  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.71  0.0  0.22  1.0

data_Zn2SiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.47
_cell_length_c   5.13
_cell_angle_alpha   95.93
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiMo
_chemical_formula_sum   'Zn2 Si1 Mo1'
_cell_volume   58.97
_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
  Zn  Zn0  1  0.0  0.14  0.4  1.0
  Zn  Zn1  1  0.0  0.3  0.02  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.22  0.71  1.0

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