data_MnVZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   148.25
_cell_angle_beta   127.29
_cell_angle_gamma   62.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVZn
_chemical_formula_sum   'Mn1 V1 Zn1'
_cell_volume   37.4
_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  0.0  0.63  1.0
  V  V1  1  0.0  0.0  0.12  1.0
  Zn  Zn2  1  0.0  0.0  0.57  1.0

data_MnVZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.45
_cell_length_b   3.98
_cell_length_c   4.49
_cell_angle_alpha   116.35
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVZn
_chemical_formula_sum   'Mn1 V1 Zn1'
_cell_volume   37.4
_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  0.37  0.37  0.37  1.0
  V  V1  1  0.88  0.88  0.88  1.0
  Zn  Zn2  1  0.43  0.43  0.43  1.0

Mn V Zn
Mn V Zn 0 2 o o o 0 1 o o + 0 1 o o o 1 1 o + + 1 2 o o - 1 2 o o o 