data_[Rb4Zr4Co4Se12]
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
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8492]
_cell_length_b [15.8544]
_cell_length_c [10.1183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbZrCoSe3]
_chemical_formula_sum '[Rb4 Zr4 Co4 Se12]'
_cell_volume [617.4903]
_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  0.0000  0.2537  0.2500  1.0
  Zr  Zr1  4  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.0000  0.4738  0.7500  1.0
  Se  Se3  8  0.0000  0.3838  0.5605  1.0
  Se  Se4  4  0.0000  0.0657  0.7500  1.0
]