data_[Rb1Hf1Ta2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7959]
_cell_length_b [4.7959]
_cell_length_c [5.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [RbHfTa2P]
_chemical_formula_sum '[Rb1 Hf1 Ta2 P1]'
_cell_volume [117.6895]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.0000  1
  Hf  Hf1  1  0.5000  0.5000  0.5000  1
  Ta  Ta2  2  0.0000  0.5000  0.0000  1
  P  P3  1  0.0000  0.0000  0.5000  1
]