data_[Sr2Co2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [4.0623]
_cell_length_b [4.0625]
_cell_length_c [12.6112]
_cell_angle_alpha [83.3698]
_cell_angle_beta [81.6619]
_cell_angle_gamma [59.9885]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrCoBr]
_chemical_formula_sum '[Sr2 Co2 Br2]'
_cell_volume [178.0918]
_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
[
  Sr  Sr0  2  0.4323  0.4672  0.6873  1
  Co  Co1  2  0.1666  0.1664  0.5003  1
  Br  Br2  2  0.2886  0.2262  0.1630  1
]