data_[Cs2Rb2Ca2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.5477]
_cell_length_b [7.5477]
_cell_length_c [8.7362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CsRbCa]
_chemical_formula_sum '[Cs2 Rb2 Ca2]'
_cell_volume [431.0022]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.5665  1
  Rb  Rb1  2  0.3333  0.6667  0.0614  1
  Ca  Ca2  2  0.0000  0.0000  0.2427  1
]