data_MgVCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   125.17
_cell_angle_beta   122.41
_cell_angle_gamma   83.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVCu2
_chemical_formula_sum   'Mg1 V1 Cu2'
_cell_volume   54.98
_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  0.0  0.0  0.25  1.0
  Cu  Cu0  1  0.01  0.0  0.63  1.0
  Cu  Cu1  1  0.0  0.1  0.62  1.0

data_MgVCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.2
_cell_length_c   4.36
_cell_angle_alpha   118.8
_cell_angle_beta   117.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVCu2
_chemical_formula_sum   'Mg1 V1 Cu2'
_cell_volume   54.98
_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  0.75  0.75  0.75  1.0
  Cu  Cu2  1  0.38  0.37  0.38  1.0
  Cu  Cu3  1  0.38  0.48  0.48  1.0

Mg V Cu Cu
Mg V Cu Cu 0 1 o o o 2 3 o o o 