data_[Mg4Re2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2198]
_cell_length_b [2.8131]
_cell_length_c [4.9500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2ReP]
_chemical_formula_sum '[Mg4 Re2 P2]'
_cell_volume [126.6721]
_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
[
  Mg  Mg0  4  0.2456  0.5000  0.7473  1
  Re  Re1  2  0.0000  0.5000  0.0000  1
  P  P2  2  0.0000  0.0000  0.5000  1
]