data_MgSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   146.63
_cell_angle_beta   63.63
_cell_angle_gamma   127.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb3
_chemical_formula_sum   'Mg1 Sb3'
_cell_volume   104.84
_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  0.0  0.79  1.0
  Sb  Sb1  1  0.0  0.3  0.95  1.0
  Sb  Sb2  1  0.79  0.6  0.73  1.0
  Sb  Sb3  1  0.79  0.4  0.73  1.0

data_MgSb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.52
_cell_length_c   6.24
_cell_angle_alpha   116.24
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb3
_chemical_formula_sum   'Mg1 Sb3'
_cell_volume   104.84
_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  0.79  0.79  0.79  1.0
  Sb  Sb1  1  0.73  0.33  0.12  1.0
  Sb  Sb2  1  0.73  0.13  0.92  1.0
  Sb  Sb3  1  0.95  0.65  0.65  1.0

Mg Sb Sb Sb