data_Ba2CrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   124.19
_cell_angle_beta   119.85
_cell_angle_gamma   86.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrAg
_chemical_formula_sum   'Ba2 Cr1 Ag1'
_cell_volume   140.8
_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  Ba1  1  0.77  0.0  0.17  1.0
  Ba  Ba2  1  0.0  0.96  0.13  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.3  1.0

data_Ba2CrAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   60.15
_cell_angle_beta   62.09
_cell_angle_gamma   62.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CrAg
_chemical_formula_sum   'Ba2 Cr1 Ag1'
_cell_volume   140.8
_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  0.13  0.0  0.83  1.0
  Ba  Ba1  1  0.41  0.77  0.83  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.3  0.0  0.7  1.0

Ba Ba Cr Ag