data_BeVAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.69
_cell_angle_alpha   94.37
_cell_angle_beta   94.37
_cell_angle_gamma   40.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVAs2
_chemical_formula_sum   'Be1 V1 As2'
_cell_volume   59.62
_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  Be2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.98  0.0  0.34  1.0
  As  As0  1  0.4  0.0  0.28  1.0
  As  As1  1  0.55  0.0  0.4  1.0

data_BeVAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.44
_cell_length_c   4.69
_cell_angle_alpha   94.37
_cell_angle_beta   90.0
_cell_angle_gamma   110.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVAs2
_chemical_formula_sum   'Be1 V1 As2'
_cell_volume   59.62
_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
  V  V1  1  0.0  0.02  0.66  1.0
  As  As2  1  0.0  0.45  0.6  1.0
  As  As3  1  0.0  0.6  0.72  1.0

Be V As As