data_BaCr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   149.93
_cell_angle_beta   123.32
_cell_angle_gamma   65.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Ru
_chemical_formula_sum   'Ba1 Cr2 Ru1'
_cell_volume   79.7
_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  0.86  1.0
  Cr  Cr1  1  0.5  0.0  0.92  1.0
  Cr  Cr2  1  0.0  0.74  0.94  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_BaCr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.48
_cell_length_c   5.77
_cell_angle_alpha   118.34
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Ru
_chemical_formula_sum   'Ba1 Cr2 Ru1'
_cell_volume   79.7
_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  0.86  0.86  1.0
  Cr  Cr1  1  0.0  0.92  0.42  1.0
  Cr  Cr2  1  0.26  0.2  0.2  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ba Cr Cr Ru