data_BaSr2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   131.55
_cell_angle_beta   131.55
_cell_angle_gamma   70.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Cr
_chemical_formula_sum   'Ba1 Sr2 Cr1'
_cell_volume   174.34
_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  0.8  0.78  1.0
  Sr  Sr2  1  0.8  0.0  0.78  1.0
  Sr  Sr3  1  0.0  0.0  0.56  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0

data_BaSr2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   6.82
_cell_angle_alpha   114.23
_cell_angle_beta   114.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2Cr
_chemical_formula_sum   'Ba1 Sr2 Cr1'
_cell_volume   174.34
_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  0.98  0.78  0.98  1.0
  Sr  Sr1  1  0.56  0.56  0.56  1.0
  Sr  Sr2  1  0.78  0.98  0.98  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Ba Sr Sr Cr