data_NaMgV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.89
_cell_angle_alpha   99.13
_cell_angle_beta   99.13
_cell_angle_gamma   28.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgV2
_chemical_formula_sum   'Na1 Mg1 V2'
_cell_volume   71.34
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Mg  Mg0  1  0.95  0.0  0.41  1.0
  V  V2  1  0.89  0.0  0.3  1.0
  V  V3  1  0.02  0.0  0.52  1.0

data_NaMgV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.89
_cell_length_c   5.53
_cell_angle_alpha   99.13
_cell_angle_beta   104.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgV2
_chemical_formula_sum   'Na1 Mg1 V2'
_cell_volume   71.34
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.41  0.95  1.0
  V  V2  1  0.0  0.3  0.89  1.0
  V  V3  1  0.0  0.52  0.02  1.0

Na Mg V V
Na Mg V V 0 2 - o o 1 2 o o o 1 3 + o o 