data_[Tl2Ni1P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.6582]
_cell_length_b [3.5098]
_cell_length_c [18.9526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl2NiP3]
_chemical_formula_sum '[Tl2 Ni1 P3]'
_cell_volume [509.4168]
_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  0.1154  0.5000  0.6165  1
  Tl  Tl1  1  0.4725  0.0000  0.5241  1
  Ni  Ni2  1  0.0016  0.0000  0.4815  1
  P  P3  1  0.1796  0.5000  0.4537  1
  P  P4  1  0.8195  0.5000  0.5163  1
  P  P5  1  0.9123  0.5000  0.4080  1
]