data_TlV2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.75
_cell_angle_alpha   99.61
_cell_angle_beta   99.61
_cell_angle_gamma   117.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Cr
_chemical_formula_sum   'Tl1 V2 Cr1'
_cell_volume   61.63
_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
  Tl  Tl1  1  0.69  0.0  0.0  1.0
  V  V2  1  0.9  0.8  0.3  1.0
  V  V3  1  0.9  0.2  0.3  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_TlV2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   117.17
_cell_angle_beta   99.61
_cell_angle_gamma   99.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Cr
_chemical_formula_sum   'Tl1 V2 Cr1'
_cell_volume   61.63
_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
  Tl  Tl0  1  0.0  0.69  0.0  1.0
  V  V1  1  0.3  0.9  0.2  1.0
  V  V2  1  0.3  0.9  0.8  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Tl V V Cr