data_MgVMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   4.43
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVMo2
_chemical_formula_sum   'Mg1 V1 Mo2'
_cell_volume   64.0
_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  0.11  1.0
  V  V3  1  0.31  0.21  0.71  1.0
  Mo  Mo1  1  0.31  0.21  0.06  1.0
  Mo  Mo2  1  0.0  0.0  0.38  1.0

data_MgVMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.43
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVMo2
_chemical_formula_sum   'Mg1 V1 Mo2'
_cell_volume   64.0
_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  0.11  1.0
  V  V1  1  0.31  0.21  0.71  1.0
  Mo  Mo2  1  0.0  0.0  0.38  1.0
  Mo  Mo3  1  0.31  0.21  0.06  1.0

Mg V Mo Mo
Mg V Mo Mo 0 2 o o o 0 3 o o o 1 3 o o o 1 2 o o + 