data_LaBe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.53
_cell_angle_alpha   110.01
_cell_angle_beta   110.01
_cell_angle_gamma   58.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2P
_chemical_formula_sum   'La1 Be2 P1'
_cell_volume   63.77
_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  La2  1  0.25  0.0  0.54  1.0
  Be  Be0  1  0.02  0.0  0.58  1.0
  Be  Be1  1  0.47  0.0  0.5  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_LaBe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.83
_cell_length_c   5.53
_cell_angle_alpha   110.01
_cell_angle_beta   90.0
_cell_angle_gamma   119.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2P
_chemical_formula_sum   'La1 Be2 P1'
_cell_volume   63.77
_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  0.75  0.46  1.0
  Be  Be1  1  0.0  0.53  0.5  1.0
  Be  Be2  1  0.0  0.98  0.42  1.0
  P  P3  1  0.0  0.0  0.0  1.0

La Be Be P
La Be Be P 0 1 o o o 0 2 o o o 0 3 + o + 0 3 o o + 0 3 o o o 1 3 o o + 2 3 + o + 2 3 o o o 