data_TaV2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   139.84
_cell_angle_beta   139.84
_cell_angle_gamma   58.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Cr
_chemical_formula_sum   'Ta1 V2 Cr1'
_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  0.54  1.0
  V  V2  1  0.0  0.78  0.27  1.0
  V  V3  1  0.78  0.0  0.27  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_TaV2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   119.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaV2Cr
_chemical_formula_sum   'Ta2 V4 Cr2'
_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  0.46  1.0
  V  V1  4  0.39  0.39  0.51  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0

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