data_MgZnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   142.32
_cell_angle_beta   133.79
_cell_angle_gamma   61.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnMo2
_chemical_formula_sum   'Mg1 Zn1 Mo2'
_cell_volume   63.75
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.53  1.0
  Mo  Mo1  1  0.7  0.0  0.3  1.0
  Mo  Mo2  1  0.0  0.07  0.24  1.0

data_MgZnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.13
_cell_length_c   5.27
_cell_angle_alpha   113.11
_cell_angle_beta   108.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnMo2
_chemical_formula_sum   'Mg1 Zn1 Mo2'
_cell_volume   63.75
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.53  0.53  1.0
  Mo  Mo2  1  0.0  0.3  0.6  1.0
  Mo  Mo3  1  0.93  0.17  0.17  1.0

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