data_[Rb8Ca8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [15.5375]
_cell_length_b [15.5375]
_cell_length_c [4.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [RbCa]
_chemical_formula_sum '[Rb8 Ca8]'
_cell_volume [1021.2980]
_cell_formula_units_Z [8]
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  0.1306  0.8298  0.5000  1
  Ca  Ca1  8  0.0446  0.3644  0.0000  1
]