data_[Ca2Mn2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7783]
_cell_length_b [5.1693]
_cell_length_c [6.8712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMn(PO4)2]
_chemical_formula_sum '[Ca2 Mn2 P4 O16]'
_cell_volume [276.0566]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  P  P2  4  0.1367  0.5000  0.2791  1
  O  O3  8  0.0195  0.2533  0.2947  1
  O  O4  4  0.2077  0.5000  0.0776  1
  O  O5  4  0.2377  0.0000  0.5432  1
]