data_Mg2SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   128.38
_cell_angle_beta   128.38
_cell_angle_gamma   76.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnP
_chemical_formula_sum   'Mg2 Sn1 P1'
_cell_volume   83.01
_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  Mg0  1  0.0  0.26  0.04  1.0
  Mg  Mg1  1  0.26  0.0  0.04  1.0
  Sn  Sn3  1  0.0  0.0  0.08  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Mg2SnP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   128.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2SnP
_chemical_formula_sum   'Mg4 Sn2 P2'
_cell_volume   166.02
_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  4  0.37  0.37  0.79  1.0
  Sn  Sn1  2  0.0  0.0  0.08  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Mg Mg Sn P
Mg Mg Sn P 0 3 o o o 1 3 o o o 2 3 o o o 