data_BeV2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   3.97
_cell_angle_alpha   113.9
_cell_angle_beta   113.9
_cell_angle_gamma   38.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2Cr
_chemical_formula_sum   'Be1 V2 Cr1'
_cell_volume   47.64
_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  0.5  0.0  0.75  1.0
  V  V2  1  0.06  0.0  0.02  1.0
  V  V3  1  0.94  0.0  0.7  1.0
  Cr  Cr1  1  0.11  0.0  0.9  1.0

data_BeV2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.97
_cell_length_c   4.64
_cell_angle_alpha   113.9
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2Cr
_chemical_formula_sum   'Be1 V2 Cr1'
_cell_volume   47.64
_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  0.75  0.5  1.0
  V  V1  1  0.0  0.02  0.06  1.0
  V  V2  1  0.0  0.7  0.94  1.0
  Cr  Cr3  1  0.0  0.9  0.11  1.0

Be V V Cr