data_MgBeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   27.79
_cell_angle_beta   27.79
_cell_angle_gamma   27.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeP2
_chemical_formula_sum   'Mg1 Be1 P2'
_cell_volume   59.85
_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
  Mg  Mg1  1  0.0  0.0  0.77  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.36  1.0
  P  P3  1  0.0  0.0  0.19  1.0

data_MgBeP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   3.26
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   106.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgBeP2
_chemical_formula_sum   'Mg2 Be2 P4'
_cell_volume   119.7
_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
  Mg  Mg0  2  0.0  0.0  0.23  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.64  1.0
  P  P3  2  0.0  0.0  0.81  1.0

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