data_[Rb1Sr2Co1Br8]
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
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8296]
_cell_length_b [7.6535]
_cell_length_c [8.6094]
_cell_angle_alpha [69.1422]
_cell_angle_beta [89.4816]
_cell_angle_gamma [89.3863]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbSr2CoBr8]
_chemical_formula_sum '[Rb1 Sr2 Co1 Br8]'
_cell_volume [420.4939]
_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  0.5000  1.0
  Sr  Sr1  2  0.4893  0.0193  0.2365  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0070  0.0177  0.2774  1.0
  Br  Br4  2  0.2452  0.2408  0.9062  1.0
  Br  Br5  2  0.2488  0.7582  0.0823  1.0
  Br  Br6  2  0.4976  0.2846  0.4242  1.0
]