data_TaMnV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   19.28
_cell_angle_beta   19.28
_cell_angle_gamma   19.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnV2
_chemical_formula_sum   'Ta1 Mn1 V2'
_cell_volume   57.61
_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
  Ta  Ta1  1  0.0  0.0  0.44  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.0  0.39  1.0
  V  V3  1  0.0  0.0  0.49  1.0

data_TaMnV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   101.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMnV2
_chemical_formula_sum   'Ta2 Mn2 V4'
_cell_volume   115.22
_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
  Ta  Ta0  2  0.0  0.0  0.56  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  V  V2  2  0.0  0.0  0.51  1.0
  V  V3  2  0.0  0.0  0.61  1.0

Ta Mn V V
Ta Mn V V 0 2 o o o 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 