data_MnZn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.39
_cell_angle_alpha   99.15
_cell_angle_beta   99.15
_cell_angle_gamma   31.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2As
_chemical_formula_sum   'Mn1 Zn2 As1'
_cell_volume   61.61
_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  Mn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.25  0.0  0.03  1.0
  Zn  Zn3  1  0.08  0.0  0.3  1.0
  As  As0  1  0.67  0.0  0.16  1.0

data_MnZn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.39
_cell_length_c   5.23
_cell_angle_alpha   99.15
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZn2As
_chemical_formula_sum   'Mn1 Zn2 As1'
_cell_volume   61.61
_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  0.03  0.25  1.0
  Zn  Zn2  1  0.0  0.3  0.08  1.0
  As  As3  1  0.0  0.16  0.67  1.0

Mn Zn Zn As
Mn Zn Zn As 0 1 o o o 0 2 o o o 0 3 - o o 1 2 o o o 1 3 o o o 2 3 - o o 