data_[Rb6Zr2Cr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8867]
_cell_length_b [11.9226]
_cell_length_c [8.1649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Zr(CrSe3)2]
_chemical_formula_sum '[Rb6 Zr2 Cr4 Se12]'
_cell_volume [643.3436]
_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
[
  Rb  Rb0  4  0.0000  0.1646  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  4  0.0000  0.3332  0.0000  1.0
  Se  Se4  8  0.2307  0.1712  0.1786  1.0
  Se  Se5  4  0.2168  0.5000  0.1777  1.0
]