data_VCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoAs2
_chemical_formula_sum   'V1 Co1 As2'
_cell_volume   56.31
_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  0.07  1.0
  Co  Co2  1  0.65  0.65  0.35  1.0
  As  As0  1  0.65  0.65  0.88  1.0
  As  As1  1  0.0  0.0  0.59  1.0

data_VCoAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCoAs2
_chemical_formula_sum   'V2 Co2 As4'
_cell_volume   112.61
_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  0.07  1.0
  Co  Co1  2  0.15  0.5  0.35  1.0
  As  As2  2  0.0  0.0  0.59  1.0
  As  As3  2  0.15  0.5  0.88  1.0

V Co As As
V Co As As 0 2 - - - 0 1 - - o 0 3 o o - 1 2 o o - 1 3 + + o 2 3 + + o 