data_ScBeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.0
_cell_length_c   3.24
_cell_angle_alpha   77.38
_cell_angle_beta   66.28
_cell_angle_gamma   36.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeP
_chemical_formula_sum   'Sc1 Be1 P1'
_cell_volume   45.96
_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
  Sc  Sc2  1  0.88  0.64  0.06  1.0
  Be  Be0  1  0.88  0.64  0.3  1.0
  P  P1  1  0.88  0.64  0.91  1.0

data_ScBeP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.76
_cell_length_b   9.27
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   125.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBeP
_chemical_formula_sum   'Sc2 Be2 P2'
_cell_volume   91.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.14  0.5  0.06  1.0
  Be  Be1  2  0.14  0.5  0.82  1.0
  P  P2  2  0.14  0.5  0.21  1.0

Sc Be P