data_BeNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiAs2
_chemical_formula_sum   'Be1 Ni1 As2'
_cell_volume   56.9
_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
  Ni  Ni3  1  0.0  0.0  0.46  1.0
  As  As0  1  0.8  0.0  0.23  1.0
  As  As1  1  0.8  0.0  0.69  1.0

data_BeNiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiAs2
_chemical_formula_sum   'Be1 Ni1 As2'
_cell_volume   56.9
_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
  Ni  Ni1  1  0.0  0.0  0.46  1.0
  As  As2  1  0.8  0.0  0.23  1.0
  As  As3  1  0.8  0.0  0.69  1.0

Be Ni As As