data_[Ca4Te1P1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2040]
_cell_length_b [4.2700]
_cell_length_c [7.5517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca4TePCl2]
_chemical_formula_sum '[Ca4 Te1 P1 Cl2]'
_cell_volume [217.6081]
_cell_formula_units_Z [1]
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  0.2623  0.0000  0.7249  1
  Ca  Ca1  2  0.2739  0.5000  0.2786  1
  Te  Te2  1  0.5000  0.5000  0.0000  1
  P  P3  1  0.5000  0.0000  0.5000  1
  Cl  Cl4  1  0.0000  0.0000  0.0000  1
  Cl  Cl5  1  0.0000  0.5000  0.5000  1
]