data_Be3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   117.19
_cell_angle_beta   117.19
_cell_angle_gamma   117.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Cr
_chemical_formula_sum   'Be3 Cr1'
_cell_volume   36.4
_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
  Be  Be0  1  0.0  0.17  0.75  1.0
  Be  Be1  1  0.88  0.92  0.75  1.0
  Be  Be2  1  0.12  0.92  0.75  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

data_Be3Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.24
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   117.19
_cell_angle_beta   99.76
_cell_angle_gamma   99.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Cr
_chemical_formula_sum   'Be3 Cr1'
_cell_volume   36.4
_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
  Be  Be0  1  0.75  0.62  0.83  1.0
  Be  Be1  1  0.75  0.75  0.58  1.0
  Be  Be2  1  0.75  0.87  0.83  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Be Be Be Cr