data_MgVNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   150.74
_cell_angle_beta   131.25
_cell_angle_gamma   57.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVNi2
_chemical_formula_sum   'Mg1 V1 Ni2'
_cell_volume   52.52
_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  0.97  1.0
  V  V3  1  0.32  0.0  0.33  1.0
  Ni  Ni1  1  0.32  0.0  0.21  1.0
  Ni  Ni2  1  0.0  0.0  0.25  1.0

data_MgVNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.33
_cell_length_c   5.24
_cell_angle_alpha   114.38
_cell_angle_beta   104.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVNi2
_chemical_formula_sum   'Mg1 V1 Ni2'
_cell_volume   52.52
_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  0.03  0.03  0.03  1.0
  V  V1  1  0.99  0.67  0.99  1.0
  Ni  Ni2  1  0.12  0.79  0.12  1.0
  Ni  Ni3  1  0.75  0.75  0.75  1.0

Mg V Ni Ni