data_VNi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.66
_cell_angle_alpha   104.27
_cell_angle_beta   104.27
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2As
_chemical_formula_sum   'V1 Ni2 As1'
_cell_volume   50.28
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.6  0.84  0.16  1.0
  Ni  Ni2  1  0.6  0.16  0.16  1.0
  As  As0  1  0.51  0.0  0.0  1.0

data_VNi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.38
_cell_length_c   5.0
_cell_angle_alpha   115.2
_cell_angle_beta   104.27
_cell_angle_gamma   92.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2As
_chemical_formula_sum   'V1 Ni2 As1'
_cell_volume   50.28
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.32  0.16  0.77  1.0
  Ni  Ni2  1  0.99  0.84  0.44  1.0
  As  As3  1  0.0  0.0  0.51  1.0

V Ni Ni As