data_MgSn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   138.73
_cell_angle_beta   138.73
_cell_angle_gamma   59.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2As
_chemical_formula_sum   'Mg1 Sn2 As1'
_cell_volume   96.35
_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  0.0  1.0
  Sn  Sn2  1  0.14  0.0  0.63  1.0
  Sn  Sn3  1  0.0  0.14  0.63  1.0
  As  As0  1  0.0  0.0  0.26  1.0

data_MgSn2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   119.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgSn2As
_chemical_formula_sum   'Mg2 Sn4 As2'
_cell_volume   192.7
_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  0.0  1.0
  Sn  Sn1  4  0.07  0.07  0.51  1.0
  As  As2  2  0.0  0.0  0.74  1.0

Mg Sn Sn As