data_KBeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.05
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   97.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeAs2
_chemical_formula_sum   'K1 Be1 As2'
_cell_volume   97.26
_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
  K  K3  1  0.3  0.02  0.43  1.0
  Be  Be2  1  0.15  0.0  0.2  1.0
  As  As0  1  0.68  0.0  0.44  1.0
  As  As1  1  0.62  0.02  0.28  1.0

data_KBeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.05
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   97.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeAs2
_chemical_formula_sum   'K1 Be1 As2'
_cell_volume   97.26
_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
  K  K0  1  0.3  0.02  0.43  1.0
  Be  Be1  1  0.15  0.0  0.2  1.0
  As  As2  1  0.62  0.02  0.28  1.0
  As  As3  1  0.68  0.0  0.44  1.0

K Be As As