data_Na2BeCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   121.67
_cell_angle_beta   121.67
_cell_angle_gamma   87.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeCr
_chemical_formula_sum   'Na2 Be1 Cr1'
_cell_volume   69.18
_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
  Na  Na2  1  0.0  0.0  0.37  1.0
  Na  Na3  1  0.0  0.27  0.68  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.27  0.0  0.68  1.0

data_Na2BeCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.65
_cell_angle_alpha   119.17
_cell_angle_beta   119.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeCr
_chemical_formula_sum   'Na2 Be1 Cr1'
_cell_volume   69.18
_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
  Na  Na0  1  0.58  0.27  0.58  1.0
  Na  Na1  1  0.63  0.0  0.63  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.32  0.0  0.58  1.0

Na Na Be Cr