data_BeTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.18
_cell_angle_alpha   104.93
_cell_angle_beta   104.93
_cell_angle_gamma   39.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2P
_chemical_formula_sum   'Be1 Tc2 P1'
_cell_volume   49.36
_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  0.5  0.0  0.08  1.0
  Tc  Tc2  1  0.02  0.0  0.18  1.0
  Tc  Tc3  1  0.21  0.0  0.77  1.0
  P  P1  1  0.05  0.0  1.0  1.0

data_BeTc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.18
_cell_length_c   4.42
_cell_angle_alpha   104.93
_cell_angle_beta   109.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2P
_chemical_formula_sum   'Be1 Tc2 P1'
_cell_volume   49.36
_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  0.08  0.5  1.0
  Tc  Tc1  1  0.0  0.18  0.02  1.0
  Tc  Tc2  1  0.0  0.77  0.21  1.0
  P  P3  1  0.0  1.0  0.05  1.0

Be Tc Tc P
Be Tc Tc P 0 2 o o - 1 3 o o - 2 3 o o o 