data_[Mn2Ag1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8954]
_cell_length_b [2.8954]
_cell_length_c [6.7940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Mn2AgP]
_chemical_formula_sum '[Mn2 Ag1 P1]'
_cell_volume [56.9567]
_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  0.0000  0.0000  0.0380  1
  Mn  Mn1  1  0.5000  0.5000  0.2852  1
  Ag  Ag2  1  0.5000  0.5000  0.7443  1
  P  P3  1  0.0000  0.0000  0.4325  1
]