data_MnZn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.61
_cell_angle_alpha   98.36
_cell_angle_beta   98.36
_cell_angle_gamma   34.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Sb
_chemical_formula_sum   'Mn1 Zn2 Sb1'
_cell_volume   71.02
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.05  0.0  0.55  1.0
  Zn  Zn3  1  0.22  0.0  0.01  1.0
  Sb  Sb1  1  0.64  0.0  0.28  1.0

data_MnZn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.61
_cell_length_c   5.23
_cell_angle_alpha   98.36
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2Sb
_chemical_formula_sum   'Mn1 Zn2 Sb1'
_cell_volume   71.02
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.01  0.22  1.0
  Zn  Zn2  1  0.0  0.55  0.05  1.0
  Sb  Sb3  1  0.0  0.28  0.64  1.0

Mn Zn Zn Sb