data_MnZnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   7.19
_cell_angle_alpha   24.22
_cell_angle_beta   24.22
_cell_angle_gamma   24.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnP2
_chemical_formula_sum   'Mn1 Zn1 P2'
_cell_volume   55.04
_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  Zn3  1  0.0  0.0  0.47  1.0
  P  P1  1  0.0  0.0  0.46  1.0
  P  P2  1  0.0  0.0  0.48  1.0

data_MnZnP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   3.02
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   104.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnZnP2
_chemical_formula_sum   'Mn2 Zn2 P4'
_cell_volume   110.09
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.53  1.0
  P  P2  2  0.0  0.0  0.52  1.0
  P  P3  2  0.0  0.0  0.54  1.0

Mn Zn P P