data_Mg2VNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.18
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VNi
_chemical_formula_sum   'Mg2 V1 Ni1'
_cell_volume   63.25
_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  0.78  0.09  0.41  1.0
  Mg  Mg1  1  0.59  0.0  0.5  1.0
  V  V3  1  0.97  0.0  0.98  1.0
  Ni  Ni2  1  0.57  0.09  0.91  1.0

data_Mg2VNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.18
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VNi
_chemical_formula_sum   'Mg2 V1 Ni1'
_cell_volume   63.25
_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  0.59  0.0  0.5  1.0
  Mg  Mg1  1  0.78  0.09  0.41  1.0
  V  V2  1  0.97  0.0  0.98  1.0
  Ni  Ni3  1  0.57  0.09  0.91  1.0

Mg Mg V Ni