data_ZrMnV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   147.47
_cell_angle_beta   147.47
_cell_angle_gamma   46.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnV
_chemical_formula_sum   'Zr1 Mn1 V1'
_cell_volume   45.82
_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
  Zr  Zr2  1  0.0  0.0  0.58  1.0
  Mn  Mn0  1  0.0  0.0  0.76  1.0
  V  V1  1  0.0  0.0  0.55  1.0

data_ZrMnV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   113.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMnV
_chemical_formula_sum   'Zr2 Mn2 V2'
_cell_volume   91.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.08  0.5  0.58  1.0
  Mn  Mn1  2  0.26  0.5  0.76  1.0
  V  V2  2  0.05  0.5  0.55  1.0

Zr Mn V
Zr Mn V 0 2 o o o 0 1 o o o 1 2 o o o 