data_LaBe2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.54
_cell_angle_alpha   106.31
_cell_angle_beta   106.31
_cell_angle_gamma   57.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Cr
_chemical_formula_sum   'La1 Be2 Cr1'
_cell_volume   65.19
_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
  La  La3  1  0.42  0.0  0.3  1.0
  Be  Be0  1  0.86  0.0  0.28  1.0
  Be  Be1  1  0.42  0.0  0.14  1.0
  Cr  Cr2  1  0.64  0.0  0.41  1.0

data_LaBe2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.83
_cell_length_c   5.54
_cell_angle_alpha   106.31
_cell_angle_beta   90.0
_cell_angle_gamma   118.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Cr
_chemical_formula_sum   'La1 Be2 Cr1'
_cell_volume   65.19
_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
  La  La0  1  0.0  0.58  0.7  1.0
  Be  Be1  1  0.0  0.14  0.72  1.0
  Be  Be2  1  0.0  0.58  0.86  1.0
  Cr  Cr3  1  0.0  0.36  0.59  1.0

La Be Be Cr
La Be Be Cr 0 2 o o o 0 3 o o o 1 3 o o o 