data_Mn2ZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnP
_chemical_formula_sum   'Mn2 Zn1 P1'
_cell_volume   52.3
_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  0.08  1.0
  Mn  Mn1  1  0.87  0.0  0.57  1.0
  Zn  Zn3  1  0.87  0.0  0.53  1.0
  P  P2  1  0.0  0.0  0.15  1.0

data_Mn2ZnP
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2ZnP
_chemical_formula_sum   'Mn2 Zn1 P1'
_cell_volume   52.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.08  1.0
  Mn  Mn1  1  0.87  0.0  0.57  1.0
  Zn  Zn2  1  0.87  0.0  0.53  1.0
  P  P3  1  0.0  0.0  0.15  1.0

Mn Mn Zn P
Mn Mn Zn P 0 3 o o o 1 2 o o o 