data_[Rb12P4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0709]
_cell_length_b [4.6107]
_cell_length_c [11.4199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3PH]
_chemical_formula_sum '[Rb12 P4 H4]'
_cell_volume [781.5973]
_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  4  0.1114  0.5000  0.2399  1.0
  Rb  Rb1  4  0.1424  0.5000  0.5984  1.0
  Rb  Rb2  4  0.1439  0.0000  0.9002  1.0
  P  P3  4  0.0263  0.0000  0.4170  1.0
  H  H4  4  0.2445  0.0000  0.1566  1.0
]