data_MgVCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVCu2
_chemical_formula_sum   'Mg1 V1 Cu2'
_cell_volume   57.38
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.06  0.0  0.0  1.0
  Cu  Cu0  1  0.53  0.4  0.46  1.0
  Cu  Cu1  1  0.53  0.6  0.46  1.0

data_MgVCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   92.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVCu2
_chemical_formula_sum   'Mg1 V1 Cu2'
_cell_volume   57.38
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.06  0.0  1.0
  Cu  Cu2  1  0.46  0.53  0.4  1.0
  Cu  Cu3  1  0.46  0.53  0.6  1.0

Mg V Cu Cu