data_YBeCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeCr
_chemical_formula_sum   'Y1 Be1 Cr1'
_cell_volume   52.09
_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  Y2  1  0.98  0.14  0.57  1.0
  Be  Be0  1  0.0  0.0  0.6  1.0
  Cr  Cr1  1  0.0  0.29  0.67  1.0

data_YBeCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.96
_cell_length_c   3.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeCr
_chemical_formula_sum   'Y1 Be1 Cr1'
_cell_volume   52.09
_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  0.57  0.98  0.14  1.0
  Be  Be1  1  0.6  0.0  0.0  1.0
  Cr  Cr2  1  0.67  0.0  0.29  1.0

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