data_[Y2Tl1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.5367]
_cell_length_b [3.6349]
_cell_length_c [7.7629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y2TlP]
_chemical_formula_sum '[Y2 Tl1 P1]'
_cell_volume [98.9775]
_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
[
  Y  Y0  2  0.0846  0.0000  0.7856  1
  Tl  Tl1  1  0.5000  0.5000  0.5000  1
  P  P2  1  0.5000  0.5000  0.0000  1
]