data_Y2VCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   37.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2VCu
_chemical_formula_sum   'Y2 V1 Cu1'
_cell_volume   91.33
_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
  Y  Y2  1  0.2  0.0  0.86  1.0
  Y  Y3  1  0.0  0.0  0.56  1.0
  V  V1  1  0.0  0.0  0.41  1.0
  Cu  Cu0  1  0.2  0.0  0.01  1.0

data_Y2VCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.4
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   108.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2VCu
_chemical_formula_sum   'Y2 V1 Cu1'
_cell_volume   91.33
_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
  Y  Y0  1  0.14  0.2  0.14  1.0
  Y  Y1  1  0.44  0.0  0.44  1.0
  V  V2  1  0.59  0.0  0.59  1.0
  Cu  Cu3  1  0.99  0.2  0.99  1.0

Y Y V Cu
Y Y V Cu 0 3 o o + 1 2 o o o 