data_[Tl3V1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1764]
_cell_length_b [19.7859]
_cell_length_c [7.0660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl3VP2]
_chemical_formula_sum '[Tl3 V1 P2]'
_cell_volume [444.0806]
_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  2  0.5000  0.1209  0.6167  1
  Tl  Tl1  1  0.0000  0.0000  0.3275  1
  V  V2  1  0.5000  0.0000  0.9576  1
  P  P3  2  0.0000  0.0887  0.9456  1
]