data_Mg2TlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.41
_cell_angle_alpha   99.54
_cell_angle_beta   99.54
_cell_angle_gamma   34.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlV
_chemical_formula_sum   'Mg2 Tl1 V1'
_cell_volume   84.15
_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
  Mg  Mg0  1  0.04  0.0  0.06  1.0
  Mg  Mg1  1  0.78  0.0  0.03  1.0
  Tl  Tl2  1  0.53  0.0  0.6  1.0
  V  V3  1  0.32  0.0  0.31  1.0

data_Mg2TlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.27
_cell_length_c   5.41
_cell_angle_alpha   99.54
_cell_angle_beta   90.0
_cell_angle_gamma   107.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlV
_chemical_formula_sum   'Mg2 Tl1 V1'
_cell_volume   84.15
_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
  Mg  Mg0  1  0.0  0.22  0.97  1.0
  Mg  Mg1  1  0.0  0.96  0.94  1.0
  Tl  Tl2  1  0.0  0.47  0.4  1.0
  V  V3  1  0.0  0.68  0.69  1.0

Mg Mg Tl V