data_[Rb12Zr4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.2233]
_cell_length_b [15.4622]
_cell_length_c [6.8271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb3ZrP2]
_chemical_formula_sum '[Rb12 Zr4 P8]'
_cell_volume [868.0776]
_cell_formula_units_Z [4]
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  8  0.2044  0.1926  0.5000  1
  Rb  Rb1  4  0.0000  0.5000  0.2500  1
  Zr  Zr2  4  0.0000  0.0000  0.2500  1
  P  P3  8  0.1721  0.0884  0.0000  1
]