data_[Sr2Ca2Mn2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P-1]
_cell_length_a [5.7525]
_cell_length_b [6.9504]
_cell_length_c [9.6464]
_cell_angle_alpha [109.1929]
_cell_angle_beta [101.4283]
_cell_angle_gamma [98.8419]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrCaMn(PO4)2]
_chemical_formula_sum '[Sr2 Ca2 Mn2 P4 O16]'
_cell_volume [346.9059]
_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
[
  Sr  Sr0  2  0.2628  0.8064  0.0564  1
  Ca  Ca1  2  0.0057  0.4224  0.6639  1
  Mn  Mn2  2  0.3636  0.1611  0.4385  1
  P  P3  2  0.1641  0.9661  0.7009  1
  P  P4  2  0.3854  0.4122  0.2166  1
  O  O5  2  0.0243  0.7328  0.5965  1
  O  O6  2  0.0318  0.9009  0.3108  1
  O  O7  2  0.1565  0.4474  0.1187  1
  O  O8  2  0.2685  0.9952  0.8672  1
  O  O9  2  0.3309  0.1901  0.2217  1
  O  O10  2  0.3730  0.0323  0.6307  1
  O  O11  2  0.3837  0.5479  0.8380  1
  O  O12  2  0.4188  0.5737  0.3816  1
]