data_Mn2ZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   129.36
_cell_angle_beta   129.36
_cell_angle_gamma   74.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnP
_chemical_formula_sum   'Mn2 Zn1 P1'
_cell_volume   48.87
_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  0.87  0.74  1.0
  Mn  Mn1  1  0.87  0.0  0.74  1.0
  Zn  Zn3  1  0.0  0.0  0.49  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Mn2ZnP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   127.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2ZnP
_chemical_formula_sum   'Mn4 Zn2 P2'
_cell_volume   97.75
_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  4  0.19  0.06  0.13  1.0
  Zn  Zn1  2  0.01  0.5  0.51  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Mn Mn Zn P