data_[Rb4Sr4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9876]
_cell_length_b [4.6096]
_cell_length_c [16.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbSrSe]
_chemical_formula_sum '[Rb4 Sr4 Se4]'
_cell_volume [591.2981]
_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  0.1086  0.5000  0.3532  1
  Sr  Sr1  4  0.1286  0.0000  0.8747  1
  Se  Se2  4  0.2331  0.0000  0.2173  1
]