data_BaBe2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   36.85
_cell_angle_beta   36.85
_cell_angle_gamma   36.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBe2Cr
_chemical_formula_sum   'Ba1 Be2 Cr1'
_cell_volume   81.97
_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  0.42  1.0
  Be  Be1  1  0.0  0.0  0.66  1.0
  Be  Be2  1  0.0  0.0  0.7  1.0
  Cr  Cr3  1  0.0  0.0  0.13  1.0

data_BaBe2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   4.01
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   111.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaBe2Cr
_chemical_formula_sum   'Ba2 Be4 Cr2'
_cell_volume   163.95
_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  0.58  1.0
  Be  Be1  2  0.0  0.0  0.3  1.0
  Be  Be2  2  0.0  0.0  0.34  1.0
  Cr  Cr3  2  -0.0  0.0  0.87  1.0

Ba Be Be Cr