data_YBeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.9
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   109.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeP2
_chemical_formula_sum   'Y1 Be1 P2'
_cell_volume   80.22
_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
  Y  Y3  1  0.84  0.95  0.44  1.0
  Be  Be0  1  0.79  0.0  0.12  1.0
  P  P1  1  0.62  0.95  0.94  1.0
  P  P2  1  0.77  0.0  0.98  1.0

data_YBeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.9
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   109.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeP2
_chemical_formula_sum   'Y1 Be1 P2'
_cell_volume   80.22
_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
  Y  Y0  1  0.84  0.95  0.44  1.0
  Be  Be1  1  0.79  0.0  0.12  1.0
  P  P2  1  0.62  0.95  0.94  1.0
  P  P3  1  0.77  0.0  0.98  1.0

Y Be P P
Y Be P P 0 1 o + o 1 3 o o - 2 3 o + o 