data_[Ca4Mg2Ta2O12]
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
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5150]
_cell_length_b [5.6945]
_cell_length_c [9.5294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2MgTaO6]
_chemical_formula_sum '[Ca4 Mg2 Ta2 O12]'
_cell_volume [246.5425]
_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  4  0.2302  0.5530  0.7457  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Ta  Ta2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1631  0.6999  0.4529  1
  O  O4  4  0.2485  0.2150  0.4451  1
  O  O5  4  0.3542  0.5330  0.2556  1
]