data_[Ca4Mg4P4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  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 [7.5598]
_cell_length_b [4.2206]
_cell_length_c [9.1750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMgPO]
_chemical_formula_sum '[Ca4 Mg4 P4 O4]'
_cell_volume [290.7248]
_cell_formula_units_Z [4]
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  4  0.1438  0.5000  0.8724  1
  Mg  Mg1  4  0.2104  0.5000  0.3455  1
  P  P2  4  0.0445  0.0000  0.3860  1
  O  O3  4  0.1789  0.5000  0.1198  1
]