data_Mn2VCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.45
_cell_angle_alpha   99.43
_cell_angle_beta   99.43
_cell_angle_gamma   33.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCu
_chemical_formula_sum   'Mn2 V1 Cu1'
_cell_volume   47.55
_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  Mn1  1  0.02  0.0  0.04  1.0
  Mn  Mn2  1  0.12  0.0  0.04  1.0
  V  V3  1  0.86  0.0  0.21  1.0
  Cu  Cu0  1  0.58  0.0  0.28  1.0

data_Mn2VCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.43
_cell_length_c   4.45
_cell_angle_alpha   99.43
_cell_angle_beta   90.0
_cell_angle_gamma   106.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCu
_chemical_formula_sum   'Mn2 V1 Cu1'
_cell_volume   47.55
_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  0.88  0.96  1.0
  Mn  Mn1  1  0.0  0.98  0.96  1.0
  V  V2  1  0.0  0.14  0.79  1.0
  Cu  Cu3  1  0.0  0.42  0.72  1.0

Mn Mn V Cu