data_SrCoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.51
_cell_length_c   3.65
_cell_angle_alpha   74.46
_cell_angle_beta   73.11
_cell_angle_gamma   32.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoBr
_chemical_formula_sum   'Sr1 Co1 Br1'
_cell_volume   80.0
_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  Sr2  1  0.52  0.64  0.02  1.0
  Co  Co1  1  0.52  0.64  0.03  1.0
  Br  Br0  1  0.52  0.64  0.97  1.0

data_SrCoBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   12.01
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   133.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCoBr
_chemical_formula_sum   'Sr2 Co2 Br2'
_cell_volume   160.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.31  0.5  0.45  1.0
  Co  Co1  2  0.31  0.5  0.44  1.0
  Br  Br2  2  0.37  0.5  0.51  1.0

Sr Co Br