data_BeZnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.42
_cell_length_b   2.42
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCr2
_chemical_formula_sum   'Be1 Zn1 Cr2'
_cell_volume   45.08
_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  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.91  1.0
  Cr  Cr1  1  0.56  0.0  0.79  1.0
  Cr  Cr2  1  0.56  0.0  0.03  1.0

data_BeZnCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   2.42
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCr2
_chemical_formula_sum   'Be1 Zn1 Cr2'
_cell_volume   45.08
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.91  1.0
  Cr  Cr2  1  0.56  0.0  0.03  1.0
  Cr  Cr3  1  0.56  0.0  0.79  1.0

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