data_VCu2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   4.25
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   102.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2As
_chemical_formula_sum   'V1 Cu2 As1'
_cell_volume   54.45
_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
  Cu  Cu1  1  0.27  0.12  0.54  1.0
  Cu  Cu2  1  0.39  0.12  0.18  1.0
  As  As0  1  0.83  0.0  0.36  1.0

data_VCu2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.25
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   102.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCu2As
_chemical_formula_sum   'V1 Cu2 As1'
_cell_volume   54.45
_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
  Cu  Cu1  1  0.27  0.12  0.54  1.0
  Cu  Cu2  1  0.39  0.12  0.18  1.0
  As  As3  1  0.83  0.0  0.36  1.0

V Cu Cu As