data_BaSr2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   132.64
_cell_angle_beta   132.64
_cell_angle_gamma   69.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Cr
_chemical_formula_sum   'Ba1 Sr2 Cr1'
_cell_volume   173.32
_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
  Ba  Ba0  1  0.0  0.0  0.67  1.0
  Sr  Sr2  1  0.77  0.0  0.83  1.0
  Sr  Sr3  1  0.0  0.77  0.83  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0

data_BaSr2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   124.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSr2Cr
_chemical_formula_sum   'Ba2 Sr4 Cr2'
_cell_volume   346.63
_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
  Ba  Ba0  2  0.0  0.0  0.67  1.0
  Sr  Sr1  4  0.12  0.12  0.07  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0

Ba Sr Sr Cr