data_Ta2MnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   25.73
_cell_angle_beta   25.73
_cell_angle_gamma   25.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnP
_chemical_formula_sum   'Ta2 Mn1 P1'
_cell_volume   63.28
_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
  Ta  Ta2  1  0.0  0.0  0.3  1.0
  Ta  Ta3  1  0.0  0.0  0.73  1.0
  Mn  Mn0  1  0.0  0.0  0.51  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Ta2MnP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   3.23
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   104.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2MnP
_chemical_formula_sum   'Ta4 Mn2 P2'
_cell_volume   126.57
_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
  Ta  Ta0  2  0.0  0.0  0.27  1.0
  Ta  Ta1  2  0.0  0.0  0.7  1.0
  Mn  Mn2  2  0.0  0.0  0.49  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ta Ta Mn P
Ta Ta Mn P 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o + 