data_MgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo
_chemical_formula_sum   'Mg2 Mo2'
_cell_volume   69.47
_cell_formula_units_Z   2
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  0.35  0.27  0.37  1.0
  Mg  Mg1  1  0.35  0.73  0.12  1.0
  Mo  Mo2  1  0.35  0.49  0.37  1.0
  Mo  Mo3  1  0.35  0.51  0.12  1.0

data_MgMo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.71
_cell_length_b   4.49
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   103.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgMo
_chemical_formula_sum   'Mg2 Mo2'
_cell_volume   69.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.27  0.38  0.77  1.0
  Mo  Mo1  2  0.49  0.38  0.99  1.0

Mg Mg Mo Mo