data_VCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   132.24
_cell_angle_beta   132.24
_cell_angle_gamma   69.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrCu2
_chemical_formula_sum   'V1 Cr1 Cu2'
_cell_volume   51.39
_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
  Cr  Cr0  1  0.85  0.0  0.87  1.0
  Cu  Cu1  1  0.0  0.0  0.75  1.0
  Cu  Cu2  1  0.0  0.85  0.87  1.0

data_VCrCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   4.57
_cell_angle_alpha   113.88
_cell_angle_beta   113.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrCu2
_chemical_formula_sum   'V1 Cr1 Cu2'
_cell_volume   51.39
_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
  Cr  Cr1  1  0.87  0.02  0.02  1.0
  Cu  Cu2  1  0.02  0.87  0.02  1.0
  Cu  Cu3  1  0.75  0.75  0.75  1.0

V Cr Cu Cu