data_VZnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   128.83
_cell_angle_beta   128.83
_cell_angle_gamma   75.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnAs2
_chemical_formula_sum   'V1 Zn1 As2'
_cell_volume   65.65
_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  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.81  1.0
  As  As0  1  0.0  0.08  0.9  1.0
  As  As1  1  0.08  0.0  0.9  1.0

data_VZnAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   127.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VZnAs2
_chemical_formula_sum   'V2 Zn2 As4'
_cell_volume   131.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.81  1.0
  As  As2  4  0.46  0.46  0.83  1.0

V Zn As As
V Zn As As 0 2 o o - 0 3 o o - 1 2 o o o 1 3 o o o 