data_YBe2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   134.58
_cell_angle_beta   134.58
_cell_angle_gamma   66.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Cr
_chemical_formula_sum   'Y1 Be2 Cr1'
_cell_volume   58.77
_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
  Y  Y3  1  0.0  0.89  0.05  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.89  0.0  0.05  1.0
  Cr  Cr2  1  0.0  0.0  0.11  1.0

data_YBe2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   4.9
_cell_angle_alpha   112.71
_cell_angle_beta   112.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Cr
_chemical_formula_sum   'Y1 Be2 Cr1'
_cell_volume   58.77
_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
  Y  Y0  1  0.16  0.05  0.16  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.05  0.16  0.16  1.0
  Cr  Cr3  1  0.11  0.11  0.11  1.0

Y Be Be Cr
Y Be Be Cr 0 3 o + o 1 3 o o o 2 3 + o o 