data_BeMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoP2
_chemical_formula_sum   'Be1 Mo1 P2'
_cell_volume   54.37
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.54  1.0
  P  P2  1  0.59  0.0  0.44  1.0
  P  P3  1  0.59  0.0  0.64  1.0

data_BeMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeMoP2
_chemical_formula_sum   'Be1 Mo1 P2'
_cell_volume   54.37
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.54  1.0
  P  P2  1  0.59  0.0  0.44  1.0
  P  P3  1  0.59  0.0  0.64  1.0

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