data_MgBeCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   2.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeCr2
_chemical_formula_sum   'Mg1 Be1 Cr2'
_cell_volume   49.4
_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
  Mg  Mg3  1  0.43  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.22  0.07  0.23  1.0
  Cr  Cr2  1  0.22  0.93  0.23  1.0

data_MgBeCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   119.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeCr2
_chemical_formula_sum   'Mg1 Be1 Cr2'
_cell_volume   49.4
_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
  Mg  Mg0  1  0.0  0.43  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.23  0.22  0.93  1.0
  Cr  Cr3  1  0.23  0.22  0.07  1.0

Mg Be Cr Cr
Mg Be Cr Cr 0 3 o - o 1 2 o o o 2 3 o - o 