data_MnVCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   142.85
_cell_angle_beta   134.81
_cell_angle_gamma   59.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVCu2
_chemical_formula_sum   'Mn1 V1 Cu2'
_cell_volume   47.49
_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
  Mn  Mn2  1  0.0  0.0  0.18  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.54  0.0  0.12  1.0
  Cu  Cu1  1  0.0  0.85  0.06  1.0

data_MnVCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.7
_cell_length_c   4.82
_cell_angle_alpha   112.59
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVCu2
_chemical_formula_sum   'Mn1 V1 Cu2'
_cell_volume   47.49
_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
  Mn  Mn0  1  0.0  0.18  0.18  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.12  0.58  1.0
  Cu  Cu3  1  0.15  0.21  0.21  1.0

Mn V Cu Cu