data_V2CuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.53
_cell_angle_alpha   103.96
_cell_angle_beta   103.96
_cell_angle_gamma   32.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuAs
_chemical_formula_sum   'V2 Cu1 As1'
_cell_volume   54.74
_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  0.08  0.0  0.22  1.0
  V  V3  1  0.38  0.0  0.09  1.0
  Cu  Cu1  1  0.79  0.0  0.91  1.0
  As  As0  1  0.91  0.0  0.37  1.0

data_V2CuAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.53
_cell_length_c   4.82
_cell_angle_alpha   103.96
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuAs
_chemical_formula_sum   'V2 Cu1 As1'
_cell_volume   54.74
_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  0.09  0.38  1.0
  V  V1  1  0.0  0.22  0.08  1.0
  Cu  Cu2  1  0.0  0.91  0.79  1.0
  As  As3  1  0.0  0.37  0.91  1.0

V V Cu As