data_[Rb1Ca2Y1Cl8]
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
  Y  1.2200  1.8000  1.0400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4399]
_cell_length_b [8.7834]
_cell_length_c [6.6634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbCa2YCl8]
_chemical_formula_sum '[Rb1 Ca2 Y1 Cl8]'
_cell_volume [376.8813]
_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  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2524  0.5000  1.0
  Y  Y2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2353  0.2091  0.1743  1.0
  Cl  Cl4  2  0.2671  0.0000  0.6816  1.0
  Cl  Cl5  2  0.2815  0.5000  0.6248  1.0
]