data_SrCo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   146.96
_cell_angle_beta   140.17
_cell_angle_gamma   52.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo2Br
_chemical_formula_sum   'Sr1 Co2 Br1'
_cell_volume   89.77
_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
  Sr  Sr3  1  0.0  0.0  0.71  1.0
  Co  Co1  1  0.0  0.17  0.87  1.0
  Co  Co2  1  0.81  0.0  0.84  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrCo2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.34
_cell_length_c   6.37
_cell_angle_alpha   109.92
_cell_angle_beta   106.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo2Br
_chemical_formula_sum   'Sr1 Co2 Br1'
_cell_volume   89.77
_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
  Sr  Sr0  1  0.29  0.29  0.29  1.0
  Co  Co1  1  0.13  0.3  0.3  1.0
  Co  Co2  1  0.97  0.16  0.97  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Co Co Br