data_Mg6VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   56.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6VMo
_chemical_formula_sum   'Mg6 V1 Mo1'
_cell_volume   157.73
_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  0.47  0.47  0.6  1.0
  Mg  Mg1  1  0.47  0.53  0.6  1.0
  Mg  Mg2  1  0.0  0.44  0.38  1.0
  Mg  Mg3  1  0.0  0.56  0.38  1.0
  Mg  Mg4  1  0.0  0.0  0.49  1.0
  Mg  Mg5  1  0.0  0.0  0.93  1.0
  V  V6  1  0.47  0.0  0.86  1.0
  Mo  Mo7  1  0.47  0.0  0.35  1.0

data_Mg6VMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   5.87
_cell_length_c   6.19
_cell_angle_alpha   118.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6VMo
_chemical_formula_sum   'Mg6 V1 Mo1'
_cell_volume   157.73
_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  0.38  0.94  1.0
  Mg  Mg1  1  0.0  0.49  0.49  1.0
  Mg  Mg2  1  0.0  0.93  0.93  1.0
  Mg  Mg3  1  0.0  0.38  0.82  1.0
  Mg  Mg4  1  0.53  0.6  0.07  1.0
  Mg  Mg5  1  0.53  0.6  0.13  1.0
  V  V6  1  0.53  0.86  0.86  1.0
  Mo  Mo7  1  0.53  0.35  0.35  1.0

Mg Mg Mg Mg Mg Mg V Mo